SCHEMBL9075478

SCHEMBL9075478

CCOC(OC)c1c(C(=O)OC(C)C)ncc2[nH]c3cccc(Cc4ccccc4Cl)c3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 13/20 0.42
GABRG2 P18507 13/20 0.42
GABRB3 P28472 13/20 0.42
GABRA5 P31644 13/20 0.42
GABRA3 P34903 13/20 0.42
GABRA2 P47869 12/20 0.42
GABRA6 Q16445 9/20 0.42
GABRP O00591 8/20 0.42
GABRD O14764 8/20 0.42
GABRB1 P18505 8/20 0.42
GABRB2 P47870 8/20 0.42
GABRA4 P48169 8/20 0.42
GABRE P78334 8/20 0.42
GABRG1 Q8N1C3 8/20 0.42
GABRG3 Q99928 8/20 0.42
GABRQ Q9UN88 8/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL9074870 0.91 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9075749 0.90 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9524434 0.87 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9073737 0.86 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9075847 0.84 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9074104 0.84 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9075689 0.83 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9525620 0.83 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9074420 0.82 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9073619 0.82 GABRA1 (0.34) 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