SCHEMBL9075759

SCHEMBL9075759

COCc1c(C(=O)OC(C)C)ncc2[nH]c3ccc(-c4cccnc4)cc3c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 13/20 0.66
GABRG2 P18507 13/20 0.66
GABRB3 P28472 13/20 0.66
GABRA5 P31644 13/20 0.66
GABRA3 P34903 13/20 0.66
GABRA2 P47869 11/20 0.66
GABRP O00591 9/20 0.66
GABRD O14764 9/20 0.66
GABRB1 P18505 9/20 0.66
GABRB2 P47870 9/20 0.66
GABRA4 P48169 9/20 0.66
GABRE P78334 9/20 0.66
GABRA6 Q16445 9/20 0.66
GABRG1 Q8N1C3 9/20 0.66
GABRG3 Q99928 9/20 0.66
GABRQ Q9UN88 9/20 0.66
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
DYRK1A Q13627 3/20 0.45

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
SCHEMBL9073976 0.91 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9524401 0.87 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9076649 0.86 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9075977 0.86 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9076866 0.86 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9076862 0.86 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9073559 0.85 GABRA1 (0.63) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9076645 0.84 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8845288 0.84 GABRA1 (0.76) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9075898 0.84 GABRA1 (0.64) 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