SCHEMBL9537699

SCHEMBL9537699

COCc1c(C(=O)O)ncc2[nH]c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 13/20 0.53
GABRG2 P18507 13/20 0.53
GABRB3 P28472 13/20 0.53
GABRA5 P31644 13/20 0.53
GABRA3 P34903 13/20 0.53
GABRA2 P47869 11/20 0.53
GABRP O00591 10/20 0.53
GABRD O14764 10/20 0.53
GABRB1 P18505 10/20 0.53
GABRB2 P47870 10/20 0.53
GABRA4 P48169 10/20 0.53
GABRE P78334 10/20 0.53
GABRA6 Q16445 10/20 0.53
GABRG1 Q8N1C3 10/20 0.53
GABRG3 Q99928 10/20 0.53
GABRQ Q9UN88 10/20 0.53
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 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
SCHEMBL9427814 0.90 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10388960 0.89 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10389295 0.89 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8475965 0.89 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9536668 0.89 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9537706 0.88 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10747524 0.87 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8849695 0.87 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9534871 0.86 MEN1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9688164 0.83 GABRA1 (0.51) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234173-B1 PHENOXY-SUBSTITUTED BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-06-16 EP disclosed
US-4945090-A ANXIOLYTIC AGENTS, ANTICONVULSANTS SCHERING AKTIENGESELLSCHAFT (DE) 1990-07-31 US disclosed
EP-0234173-A2 Phenoxy-substituted beta-carboline derivatives, their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1987-09-02 EP disclosed