SCHEMBL9536385

SCHEMBL9536385

O=C(O)c1cc2c(cn1)[nH]c1ccc(Oc3ccc(F)cc3)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 14/20 0.58
GABRG2 P18507 14/20 0.58
GABRB3 P28472 14/20 0.58
GABRA5 P31644 14/20 0.58
GABRA3 P34903 14/20 0.58
GABRA2 P47869 14/20 0.58
GABRA6 Q16445 11/20 0.58
GABRA4 P48169 10/20 0.58
GABRP O00591 3/20 0.58
GABRD O14764 3/20 0.58
GABRB1 P18505 3/20 0.58
GABRB2 P47870 3/20 0.58
GABRE P78334 3/20 0.58
GABRG1 Q8N1C3 3/20 0.58
GABRG3 Q99928 3/20 0.58
GABRQ Q9UN88 3/20 0.58
KMT2A Q03164 1/20 0.58
UBE2N P61088 1/20 0.46
KDM4E B2RXH2 1/20 0.44
PDE5A O76074 1/20 0.44

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
SCHEMBL9536120 0.90 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9534774 0.83 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9536390 0.83 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1981698 0.82 GABRA1 (0.63) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9687760 0.79 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9688204 0.76 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10377012 0.76 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8133221 0.76 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10389265 0.75 GABRA1 (0.77) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2353190 0.75 GABRA1 (0.75) 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