SCHEMBL73177

SCHEMBL73177

O=CCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.52
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.37
GPR3 P46089 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
TDO2 P48775 1/20 0.35
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35

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
SCHEMBL9547888 0.85 HTR2A (0.42) HTR2ACA1CA2TSHRHSD17B10
SCHEMBL28923189 0.78 HTR2A (0.48) HTR2ACA1CA2TSHRHSD17B10
SCHEMBL2069077 0.77 HTR2A (0.52) HTR2ACA1CA2TSHRGPR3
SCHEMBL25817086 0.77 KMT2A (0.44) HSD17B10KMT2APOLBCYP1A2
SCHEMBL252162 0.77 HTR2A (0.52) HTR2ACA1CA2TSHRGPR3
SCHEMBL28747356 0.77 HTR2A (0.52) HTR2ACA1CA2GPR3POLB
SCHEMBL12122139 0.77 MAOA (0.47) TSHRHDAC3HDAC4HDAC7HDAC8
SCHEMBL14407923 0.77 HTR2A (0.57) HTR2AHDAC4HDAC7HDAC5
SCHEMBL28492063 0.76 HTR2A (0.50) HTR2ACA1CA2TSHRGPR3
SCHEMBL21896104 0.75 HTR2A (0.45) HTR2ACA1CA2TSHRHDAC3

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

Claimed or disclosed in 564 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024089191-A1 MICROBIOCIDAL HETEROBICYCLIC DIHYDROOXADIAZINE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-05-02 WO claimed
WO-2023090935-A1 METHOD FOR PRODUCING AGM PEPTIDES THAT BIND SPECIFICALLY TO NUCLEOLIN 애니젠 주식회사 2023-05-25 WO claimed
CN-114096264-A Process for preparing PSMA conjugates 因多塞特股份有限公司 2022-02-25 CN claimed
US-11149064-B2 Vasoactive polypeptides for smooth muscle relaxation VANDERBILT UNIVERSITY (US) 2021-10-19 US claimed
EP-3026049-B1 METHOD FOR PREPARING BENZAMIDE DERIVATIVE, NOVEL INTERMEDIATE USED IN PREPARATION OF BENZAMIDE, AND METHOD FOR PREPARING NOVEL INTERMEDIATE DONG A ST CO LTD (KR) 2021-09-22 EP claimed
EP-3274358-B1 VACCINE AGAINST CARBAPENEM-RESISTANTKLEBSIELLA PNEUMONIAE MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WSS EV (DE) 2020-09-16 EP claimed
CN-111499686-A Phosphorylated protein labeling reagent containing equal-weight stable isotope, and preparation method and application thereof 厦门大学 2020-08-07 CN claimed
CN-110267958-A Process for preparing pyrazolo [1,5-a ] pyrimidines and salts thereof 阿雷生物药品公司 2019-09-20 CN claimed
EP-3532475-A2 PROCESS FOR THE PREPARATION OF PYRAZOLO[1,5-a]PYRIMIDINES AND SALTS THEREOF Array Biopharma Inc. (US) 2019-09-04 EP claimed
EP-3509613-A1 VASOACTIVE POLYPEPTIDES FOR SMOOTH MUSCLE RELAXATION Vanderbilt University (US) 2019-07-17 EP claimed
US-5622945-A Rubyrin macrocycles BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1997-04-22 US claimed
US-5457195-A Sapphyrin derivatives and conjugates BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-10-10 US claimed
WO-1994009003-A1 SAPPHYRIN DERIVATIVES, CONJUGATES AND POLYMERS THEREOF AND EXPANDED PORPHYRIN CHROMATOGRAPHIC SUPPORTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-04-28 WO claimed
EP-0255082-B1 Renin-inhibiting di- and tripeptides, methods for their production, drugs containing them, and their use HOECHST AG (DE) 1993-12-01 EP claimed
EP-0517589-A2 Tachykinin derivatives, their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-12-09 EP claimed
EP-0394829-A1 Renin-inhibiting dipeptides, process to synthetize them, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-31 EP claimed
US-4855286-A HYPOTENSIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-08 US claimed
EP-0255082-A2 Renin-inhibiting di- and tripeptides, methods for their production, drugs containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-03 EP claimed
EP-0239874-A2 Substituted derivatives of 4-amino-3-hydroxy-butyric acid, process for their production, medicines containing them, and their application HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-07 EP claimed
EP-0230242-A2 Substituted derivatives of 4-amino-3-hydroxy-butyric acid, process for their production, medicines containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-29 EP claimed