SCHEMBL9788698

SCHEMBL9788698

Cc1ccc(-c2nc3ccc(C(N)=O)cn3c2CN(C)C(=O)CC(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.53
GABRB2 P47870 5/20 0.53
ALB P02768 2/20 0.53
OPRK1 P41145 2/20 0.53
KCNH2 Q12809 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
CHRM1 P11229 1/20 0.53
HPGD P15428 1/20 0.53
GABRB1 P18505 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA3 P34903 1/20 0.53
ADRA1A P35348 1/20 0.53
HTR2B P41595 1/20 0.53
GABRA2 P47869 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GABRA5 P31644 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL10465909 0.91 GABRA1 (0.54) GABRA1GABRB2ALBOPRK1KCNH2
SCHEMBL9788671 0.90 GABRA1 (0.56) GABRA1GABRB2ALBOPRK1KCNH2
SCHEMBL10385117 0.90 GABRA1 (0.66) GABRA1GABRB2ALBOPRK1KCNH2
SCHEMBL9788651 0.88 GABRA1 (0.52) GABRA1GABRB2ALBOPRK1KCNH2
SCHEMBL10468519 0.88 GABRA1 (0.52) GABRA1GABRB2ALBOPRK1KCNH2
SCHEMBL9788667 0.86 GABRA1 (0.55) GABRA1GABRB2ALBOPRK1KCNH2
SCHEMBL10467219 0.86 GABRA1 (0.55) GABRA1GABRB2ALBOPRK1KCNH2
SCHEMBL9788699 0.86 GABRA1 (0.58) GABRA1GABRB2ALBOPRK1KCNH2
SCHEMBL9788678 0.83 GABRA1 (0.53) GABRA1GABRB2ALBOPRK1KCNH2
SCHEMBL9788635 0.83 GABRA1 (0.53) GABRA1GABRB2ALBOPRK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990506-A Sedatives, anxiolytic, antiulcer, antistress SYNTHELABO (FR) 1991-02-05 US disclosed
US-4891371-A HYPNOTIC, ANXIOLYTIC, ANTI-STRESS ULCER SYNTHELABO (FR) 1990-01-02 US disclosed
US-4767755-A NERVOUS SYSTEM DISORDERS SYNTHELABO (FR) 1988-08-30 US disclosed