SCHEMBL9840067

SCHEMBL9840067

CCSC(C)c1ccc2[nH]c3cnc(C(=O)O)c(C)c3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 15/20 0.41
GABRG2 P18507 15/20 0.41
GABRB3 P28472 15/20 0.41
GABRA5 P31644 15/20 0.41
GABRA3 P34903 15/20 0.41
GABRA2 P47869 15/20 0.41
GABRA6 Q16445 9/20 0.41
GABRA4 P48169 8/20 0.41
GABRP O00591 7/20 0.41
GABRD O14764 7/20 0.41
GABRB1 P18505 7/20 0.41
GABRB2 P47870 7/20 0.41
GABRE P78334 7/20 0.41
GABRG1 Q8N1C3 7/20 0.41
GABRG3 Q99928 7/20 0.41
GABRQ Q9UN88 7/20 0.41
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 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
SCHEMBL9840358 0.89 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9840073 0.85 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9839097 0.84 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9840000 0.83 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9839985 0.81 PRKAB2 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9839105 0.81 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10628043 0.79 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9839021 0.78 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10835073 0.76 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10835015 0.76 GABRA1 (0.41) 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 2 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 disclosed
US-4778800-A ANXIOLYTIC, ANTICONVULSANT SCHERING AKTIENGESELLSCHAFT (DE) 1988-10-18 US disclosed