SCHEMBL9788618

SCHEMBL9788618

Cc1ccc2nc(-c3ccc(C#N)cc3)c(CNC(=O)CC(C)C)n2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.47
GABRB2 P47870 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 1/20 0.47
ALB P02768 1/20 0.47
CYP3A4 P08684 1/20 0.47
CHRM1 P11229 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA3 P34903 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
GABRA2 P47869 1/20 0.47
KCNH2 Q12809 1/20 0.47
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL10468530 0.84 GABRA1 (0.47) GABRA1GABRB2KDM4EHPGDHSD17B10
SCHEMBL10468528 0.83 ALOX5 (0.49) GABRA1GABRB2KDM4EHPGDHSD17B10
SCHEMBL10465838 0.83 GABRA1 (0.50) GABRA1GABRB2KDM4EHPGDHSD17B10
SCHEMBL9788648 0.83 RAB9A (0.55) GABRA1GABRB2KDM4EHPGDHSD17B10
SCHEMBL10466564 0.81 GABRA1 (0.51) GABRA1GABRB2KDM4EHPGDHSD17B10
SCHEMBL9788650 0.80 GABRA1 (0.45) GABRA1GABRB2KDM4EHPGDHSD17B10
SCHEMBL10467410 0.80 TSPO (0.50) GABRA1GABRB2KDM4EHPGDHSD17B10
SCHEMBL28395142 0.79 GABRA1 (0.61) GABRA1GABRB2KDM4EHPGDHSD17B10
SCHEMBL1691259 0.79 GABRA1 (0.53) GABRA1GABRB2KDM4EHPGDHSD17B10
SCHEMBL9788678 0.77 GABRA1 (0.53) GABRA1GABRB2KDM4EHPGDHSD17B10

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