SCHEMBL9747280

SCHEMBL9747280

COc1cc2ccccn2c1C(=O)NC1CC2CCC(C1)N2C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.51
HTR3A P46098 5/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45

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
SCHEMBL9747852 0.76 MEN1 (0.52) HTR3AMEN1KMT2AALDH1A1CYP3A4
SCHEMBL9748440 0.74 HTR3A (0.49) HTR3AMEN1KMT2AALDH1A1CYP3A4
SCHEMBL7435248 0.74 MAPT (0.46) MEN1KMT2AALDH1A1MAPK1
SCHEMBL9531363 0.74 HTR3A (0.56) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL9748298 0.74 ALDH1A1 (0.51) HTR3AMEN1KMT2AALDH1A1CYP3A4
SCHEMBL9748204 0.73 ALDH1A1 (0.53) HTR3AMEN1KMT2AALDH1A1CYP3A4
SCHEMBL9747774 0.72 ALDH1A1 (0.50) HTR3AMEN1KMT2AALDH1A1CYP3A4
SCHEMBL7435263 0.72 HSP90AA1 (0.63) HTR4HTR3ACYP3A4
SCHEMBL9532205 0.72 HTR3A (0.54) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL9747490 0.72 ALDH1A1 (0.52) HTR3AMEN1KMT2AALDH1A1CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254584-B1 AZABICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1992-10-07 EP claimed
US-4822795-A Pharmaceutically useful esters and amides BEECHAM GROPUP P.L.C. (GB) 1989-04-18 US claimed
EP-0254584-A2 Azabicyclic compounds, process for their preparation, and their pharmaceutical use BEECHAM GROUP PLC (GB) 1988-01-27 EP claimed
EP-0254584-B1 AZABICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1992-10-07 EP disclosed
US-4822795-A Pharmaceutically useful esters and amides BEECHAM GROPUP P.L.C. (GB) 1989-04-18 US disclosed
EP-0254584-A2 Azabicyclic compounds, process for their preparation, and their pharmaceutical use BEECHAM GROUP PLC (GB) 1988-01-27 EP disclosed