Selegiline

Selegiline

SCHEMBL74753

C#CCN(C)C(C)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MAOB

The experimentally established mechanism targets of Selegiline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB known ✓ P27338 11/20 1.00
MAOA P21397 8/20 1.00
CYP1A2 P05177 2/20 1.00
ADRA2B P18089 2/20 1.00
ADRA2C P18825 2/20 1.00
ADRA1A P35348 2/20 1.00
OPRK1 P41145 2/20 1.00
TSHR P16473 2/20 1.00
ADRA2A P08913 1/20 1.00
SNCA P37840 1/20 1.00
CYP2D6 P10635 1/20 1.00
PKM P14618 1/20 1.00
MAPK1 P28482 1/20 0.97
KDM4E B2RXH2 1/20 0.97
SLC6A2 P23975 1/20 0.62
HTR2A P28223 1/20 0.62
SLC6A4 P31645 1/20 0.62
SLC6A3 Q01959 1/20 0.62
KCNH2 Q12809 1/20 0.62
SIGMAR1 Q99720 3/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Selegiline SCHEMBL15867136 1.00 MAOB (1.00) MAOBMAOACYP1A2ADRA2BADRA2C
Selegiline SCHEMBL12248117 1.00 MAOB (1.00) MAOBMAOACYP1A2ADRA2BADRA2C
Selegiline SCHEMBL22232 1.00 MAOB (1.00) MAOBMAOACYP1A2ADRA2BADRA2C
Selegiline SCHEMBL1286950 1.00 MAOB (1.00) MAOBMAOACYP1A2ADRA2BADRA2C
Selegiline SCHEMBL5499736 1.00 MAOB (1.00) MAOBMAOACYP1A2ADRA2BADRA2C
Selegiline SCHEMBL41392 0.98 MAOB (1.00) MAOBMAOACYP1A2ADRA2BADRA2C
Selegiline SCHEMBL473659 0.98 MAOB (1.00) MAOBMAOACYP1A2ADRA2BADRA2C
Selegiline SCHEMBL1171497 0.97 MAOB (0.93) MAOBMAOACYP1A2ADRA2BADRA2C
Selegiline SCHEMBL7105217 0.97 MAOB (0.93) MAOBMAOACYP1A2ADRA2BADRA2C
Selegiline SCHEMBL4611911 0.95 MAOB (0.90) MAOBMAOACYP1A2ADRA2BADRA2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 6998 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122059788-A Production process and system of high-purity dicyclopentadiene 中国石油天然气股份有限公司 2026-05-19 CN claimed
US-12594388-B2 Device to deliver a predetermined amount of a substance to a natural orifice of the body APTARGROUP, INC. (US) 2026-04-07 US claimed
US-12560618-B2 Innate immune proteins as biomarkers for CNS injury UNIVERSITY OF MIAMI (US) 2026-02-24 US claimed
US-20250235641-A1 DEVICE TO DELIVER A PREDETERMINED AMOUNT OF A SUBSTANCE TO A NATURAL ORIFICE OF THE BODY APTARGROUP INC. (US) 2025-07-24 US claimed
US-12178798-B2 Methods to grow then harvest and process insects INSECTERGY LLC (US) 2024-12-31 US claimed
US-20240350455-A1 COMPOSITIONS AND METHODS COMPRISING A COMBINATION OF SEROTONERGIC DRUGS CAAMTECH, INC. (US) 2024-10-24 US claimed
WO-2024206503-A2 METHODS, COMPOSITIONS FOR TREATMENT, BIOMARKERS, AND DIAGNOSIS FOR COLORECTAL CANCER UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-10-03 WO claimed
US-20240216336-A1 CLOTRIMAZOLE AS A TREATMENT FOR IMMUNODEFICIENCY DISORDERS NORTHWESTERN UNIVERSITY 2024-07-04 US claimed
US-11938119-B2 Cannabis production systems and methods INSECTERGY, LLC (US) 2024-03-26 US claimed
US-20240060995-A1 INNATE IMMUNE PROTEINS AS BIOMARKERS FOR TRAUMATIC BRAIN INJURY IN ADULT AND PEDIATRIC PATIENTS UNIV MIAMI (US) 2024-02-22 US claimed
EP-0440704-A1 COMPOSITIONS FOR TREATING TOBACCO WITHDRAWEL SYMPTOMS. MASSACHUSETTS INST TECHNOLOGY (US) 1991-08-14 EP claimed
EP-0386117-A1 TREATING PREMENSTRUAL OR LATE LUTEAL PHASE SYNDROME MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1990-09-12 EP claimed
WO-1990004387-A2 COMPOSITIONS FOR TREATING TOBACCO WITHDRAWAL SYMPTOMS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1990-05-03 WO claimed
US-4861800-A Method for administering the drug deprenyl so as to minimize the danger of side effects SOMERSET PHARMACEUTICALS, INC., A CORP. OF DELAWARE 1989-08-29 US claimed
WO-1989003692-A1 TREATING PREMENSTRUAL OR LATE LUTEAL PHASE SYNDROME MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1989-05-05 WO claimed
US-4826875-A Pharmaceutical compositions containing levodopa methyl ester, preparation and therapeutic applications thereof CHIESI FARMACEUTICI S.P.A. (IT) 1989-05-02 US claimed
US-4722940-A Aminoalkyl phenyl selenides for the treatment of hypertension and nervous system dysfunctions GEORGIA TECH RESEARCH CORPORATION (US) 1988-02-02 US claimed
EP-0252290-A2 Pharmaceutical compositions containing levodopa methyl ester, preparation and therapeutic applications thereof CHIESI FARMACEUTICI S.p.A. (IT) 1988-01-13 EP claimed
US-4579870-A Aminoalkyl phenyl selenides for the treatment of hypertension and nervous system dysfunctions GEORGIA TECH RESEARCH CORPORATION (US) 1986-04-01 US claimed
US-4415591-A MIXTURE WITH A MONOAMINE OXIDASE GEORGIA TECH RESEARCH INSTITUTE (US) 1983-11-15 US claimed