SCHEMBL9075689

SCHEMBL9075689

COC(C)OCc1c(C(=O)OC(C)C)ncc2[nH]c3cccc(Cc4ccccc4Cl)c3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 16/20 0.50
GABRG2 P18507 16/20 0.50
GABRB3 P28472 16/20 0.50
GABRA5 P31644 16/20 0.50
GABRA3 P34903 16/20 0.50
GABRA2 P47869 14/20 0.50
GABRA4 P48169 12/20 0.50
GABRA6 Q16445 12/20 0.50
GABRP O00591 11/20 0.50
GABRD O14764 11/20 0.50
GABRB1 P18505 11/20 0.50
GABRB2 P47870 11/20 0.50
GABRE P78334 11/20 0.50
GABRG1 Q8N1C3 11/20 0.50
GABRG3 Q99928 11/20 0.50
GABRQ Q9UN88 11/20 0.50
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL9074420 0.91 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9074867 0.91 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9075745 0.91 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9075847 0.88 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9073733 0.87 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
Imidazole SCHEMBL9073617 0.84 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9074104 0.84 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9075478 0.83 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8845236 0.81 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9076478 0.80 GABRA1 (0.59) 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