SCHEMBL7309440

SCHEMBL7309440

Cc1nn2c(C)cccc2c1C(=O)OC1CN2CCC1CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.47
HTR3E A5X5Y0 2/20 0.47
HTR3B O95264 2/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
HTR3A P46098 2/20 0.47
HTR3D Q70Z44 2/20 0.47
HTR3C Q8WXA8 2/20 0.47
TSHR P16473 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CHRM2 P08172 4/20 0.43
CHRM1 P11229 2/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL9589583 0.81 CHRNA7 (0.50) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL7306336 0.81 CHRNA7 (0.50) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL7306346 0.81 CHRNA7 (0.50) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL7302291 0.79 CHRNA7 (0.55) CHRNA7
SCHEMBL7303942 0.72 PDE4D (0.51) TSHRALDH1A1MEN1KMT2A
SCHEMBL5370748 0.70 CHRNA7 (0.51) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL7299594 0.70 CHRNA7 (0.47) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL7300327 0.69 POLB (0.43) ALDH1A1MEN1KMT2A
Benzoclidine SCHEMBL342347 0.69 GLA (0.74) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
Benzoclidine SCHEMBL1542330 0.69 GLA (0.74) CHRNA7HTR3EHTR3BCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5200415-A Serotonin receptor antagonists; antiemetics, antianxietics ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1993-04-06 US claimed
EP-0483836-A1 Pyrazolo [1,5-a] pyridine-3-carboxylic acid derivatives, their preparation process and their use ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1992-05-06 EP claimed
US-5200415-A Serotonin receptor antagonists; antiemetics, antianxietics ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1993-04-06 US disclosed
EP-0483836-A1 Pyrazolo [1,5-a] pyridine-3-carboxylic acid derivatives, their preparation process and their use ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1992-05-06 EP disclosed