SCHEMBL9537349

SCHEMBL9537349

CCOC(=O)c1ncc2[nH]c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3c2c1COC

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 18/20 0.74
GABRG2 P18507 18/20 0.74
GABRB3 P28472 18/20 0.74
GABRA5 P31644 18/20 0.74
GABRA3 P34903 18/20 0.74
GABRA2 P47869 16/20 0.74
GABRA6 Q16445 8/20 0.74
GABRP O00591 7/20 0.74
GABRD O14764 7/20 0.74
GABRB1 P18505 7/20 0.74
GABRB2 P47870 7/20 0.74
GABRA4 P48169 7/20 0.74
GABRE P78334 7/20 0.74
GABRG1 Q8N1C3 7/20 0.74
GABRG3 Q99928 7/20 0.74
GABRQ Q9UN88 7/20 0.74
ALDH1A1 P00352 1/20 0.67
MAPT P10636 1/20 0.67
HPGD P15428 1/20 0.67

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
SCHEMBL10389622 0.92 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10417347 0.92 GABRA1 (0.78) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10708316 0.91 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10389289 0.90 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10389611 0.90 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9535806 0.89 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10389643 0.89 GABRA1 (0.89) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10389614 0.88 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10390449 0.88 GABRA1 (0.80) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9535854 0.88 GABRA1 (0.57) 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