SCHEMBL13952

SCHEMBL13952

c1ccc(CN2CCCC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.81
HRH3 Q9Y5N1 3/20 0.73
MC4R P32245 1/20 0.65
HRH4 Q9H3N8 1/20 0.64
DRD4 P21917 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C19 P33261 1/20 0.63
LMNA P02545 1/20 0.63
POLB P06746 1/20 0.63
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
SLC6A3 Q01959 1/20 0.61
ACHE P22303 1/20 0.61
MBTD1 Q05BQ5 1/20 0.59
L3MBTL3 Q96JM7 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
PRMT6 Q96LA8 1/20 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
SCHEMBL1777747 1.00 SIGMAR1 (0.81) SIGMAR1HRH3MC4RHRH4DRD4
SCHEMBL26532 0.98 SIGMAR1 (0.77) SIGMAR1HRH3MC4RHRH4DRD4
Bromide SCHEMBL10447698 0.98 SIGMAR1 (0.77) SIGMAR1HRH3MC4RHRH4DRD4
Ammonia Solution, Strong SCHEMBL3699405 0.98 SIGMAR1 (0.77) SIGMAR1HRH3MC4RHRH4DRD4
SCHEMBL8327 0.98 SIGMAR1 (0.77) SIGMAR1HRH3MC4RHRH4DRD4
SCHEMBL688047 0.98 SIGMAR1 (0.77) SIGMAR1HRH3MC4RHRH4DRD4
SCHEMBL11585348 0.98 SIGMAR1 (0.77) SIGMAR1HRH3MC4RHRH4DRD4
SCHEMBL11141692 0.98 SIGMAR1 (0.77) SIGMAR1HRH3MC4RHRH4DRD4
Hydrochloric Acid SCHEMBL7409551 0.95 SIGMAR1 (0.74) SIGMAR1HRH3MC4RHRH4DRD4
Bromide SCHEMBL10730905 0.95 SIGMAR1 (0.74) SIGMAR1HRH3MC4RHRH4DRD4

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 3248 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119948021-A Nitrogen-containing heterocyclic derivative, composition thereof and pharmaceutical application thereof 西藏海思科制药有限公司 2025-05-06 CN claimed
CN-119285519-B Preparation method of 5,5' -dimethylpyrrolidine-3-alcohol 无锡科华生物科技有限公司 2025-04-18 CN claimed
CN-119591581-A Amide heterocyclic derivative and application thereof in medicine 西藏海思科制药有限公司 2025-03-11 CN claimed
CN-119285519-A Preparation method of 5,5' -dimethylpyrrolidine-3-alcohol 无锡科华生物科技有限公司 2025-01-10 CN claimed
CN-118812512-A Thioamide derivative and application thereof in medicine 西藏海思科制药有限公司 2024-10-22 CN claimed
CN-116396243-B Method for poly-fluoroaryl of aromatic hydrocarbon 贵州民族大学 2024-10-18 CN claimed
WO-2024109918-A1 GSPT1 DEGRADATION AGENT AND USE THEREOF IN MEDICINE 西藏海思科制药有限公司 2024-05-30 WO claimed
CN-118047801-A KRAS inhibitor compound, pharmaceutical composition and application thereof 广东东阳光药业股份有限公司 2024-05-17 CN claimed
CN-117903016-A Fluorosulfonyl sulfonimide salt, preparation method and application thereof 中国科学院上海有机化学研究所 2024-04-19 CN claimed
CN-116284017-B Method for preparing amide compound by utilizing enzyme-like efficient catalytic oxidation 中国科学院青岛生物能源与过程研究所 2024-03-22 CN claimed
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 EP claimed
US-5496844-A Indole derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-03-05 US claimed
EP-0639567-A1 INDOLE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1995-02-22 EP claimed
EP-0543919-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. SEARLE & CO (US) 1993-06-02 EP claimed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 WO claimed
US-5051432-A Heterocyclic 1,4 dihydropyridine derivatives GLAXO, S.P.A. (IT) 1991-09-24 US claimed
EP-0157260-B1 4,7-DIHYDROPYRAZOLO(3,4-B)PYRIDINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1990-06-13 EP claimed
US-4873334-A HYPOTENSIVE AGENTS, CORONARY VASODILATORS SHIONOGI & CO., LTD. (JP) 1989-10-10 US claimed
EP-0157260-A1 4,7-Dihydropyrazolo(3,4-b)Pyridine derivatives SHIONOGI & CO., LTD. (JP) 1985-10-09 EP claimed
US-4016263-A BACTERICIDES BOEHRINGER INGELHEIM GMBH (DT) 1977-04-05 US claimed