SCHEMBL9840083

SCHEMBL9840083

CCOC(CC)c1cccc2[nH]c3cnc(-c4nc(CC)no4)c(COC)c3c12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.39
GABRG2 P18507 7/20 0.39
GABRB3 P28472 7/20 0.39
GABRA5 P31644 7/20 0.39
GABRA3 P34903 7/20 0.39
GABRP O00591 6/20 0.39
GABRD O14764 6/20 0.39
GABRB1 P18505 6/20 0.39
GABRA2 P47869 6/20 0.39
GABRB2 P47870 6/20 0.39
GABRA4 P48169 6/20 0.39
GABRE P78334 6/20 0.39
GABRA6 Q16445 6/20 0.39
GABRG1 Q8N1C3 6/20 0.39
GABRG3 Q99928 6/20 0.39
GABRQ Q9UN88 6/20 0.39

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
SCHEMBL9840559 0.90 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9838995 0.88 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10375636 0.86 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10376611 0.82 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10374196 0.82 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10729199 0.81 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10374366 0.80 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9840569 0.80 GABRP (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9534800 0.79 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9688545 0.79 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3

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
EP-0222693-B1 3-OXADIAZOLYL AND 3-CARBOXYLIC-ACID BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1991-04-17 EP claimed
EP-0222693-B1 3-OXADIAZOLYL AND 3-CARBOXYLIC-ACID BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1991-04-17 EP disclosed
US-4778800-A ANXIOLYTIC, ANTICONVULSANT SCHERING AKTIENGESELLSCHAFT (DE) 1988-10-18 US disclosed