SCHEMBL9534784

SCHEMBL9534784

CCOC(=O)c1ncc2[nH]c3cccc(Oc4ccccc4)c3c2c1COC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 16/20 0.79
GABRG2 P18507 16/20 0.79
GABRB3 P28472 16/20 0.79
GABRA5 P31644 16/20 0.79
GABRA3 P34903 16/20 0.79
GABRA2 P47869 14/20 0.79
GABRA6 Q16445 10/20 0.79
GABRP O00591 9/20 0.79
GABRD O14764 9/20 0.79
GABRB1 P18505 9/20 0.79
GABRB2 P47870 9/20 0.79
GABRA4 P48169 9/20 0.79
GABRE P78334 9/20 0.79
GABRG1 Q8N1C3 9/20 0.79
GABRG3 Q99928 9/20 0.79
GABRQ Q9UN88 9/20 0.79
MAPT P10636 2/20 0.61
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
MEN1 O00255 1/20 0.56

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
SCHEMBL10389616 0.93 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10389299 0.92 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9536518 0.92 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9537306 0.92 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9534689 0.90 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10390438 0.90 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10706549 0.89 GABRA1 (0.80) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9536668 0.89 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9534998 0.89 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9427814 0.89 GABRA1 (0.66) 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 claimed
US-4945090-A ANXIOLYTIC AGENTS, ANTICONVULSANTS SCHERING AKTIENGESELLSCHAFT (DE) 1990-07-31 US claimed
US-4945090-A ANXIOLYTIC AGENTS, ANTICONVULSANTS SCHERING AKTIENGESELLSCHAFT (DE) 1990-07-31 US disclosed