SCHEMBL9075847

SCHEMBL9075847

CCc1c(C(=O)OC(C)C)ncc2[nH]c3cccc(Cc4ccccc4Cl)c3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 17/20 0.48
GABRG2 P18507 17/20 0.48
GABRB3 P28472 17/20 0.48
GABRA5 P31644 17/20 0.48
GABRA3 P34903 17/20 0.48
GABRA2 P47869 16/20 0.48
GABRA6 Q16445 9/20 0.48
GABRB2 P47870 7/20 0.48
GABRP O00591 6/20 0.48
GABRD O14764 6/20 0.48
GABRB1 P18505 6/20 0.48
GABRA4 P48169 6/20 0.48
GABRE P78334 6/20 0.48
GABRG1 Q8N1C3 6/20 0.48
GABRG3 Q99928 6/20 0.48
GABRQ Q9UN88 6/20 0.48
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL9074420 0.91 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9074973 0.89 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9074104 0.89 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9075689 0.88 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9524162 0.85 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9075478 0.84 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9073569 0.80 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8845236 0.80 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9074867 0.80 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7374058 0.80 GABRA1 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506234-A PSYCHOPHARMACEUTICAL AGENTS WHICH BIND TO BENZODIAZEPINE RECEPTORS; ANXIOLYTIC AGENTS; MINIMAL SIDE EFFECTS SCHERING AKTIENGESELLSCHAFT (DE) 1996-04-09 US disclosed