SCHEMBL689484

SCHEMBL689484

CCOC(=O)OC1=CN(C(=O)c2ccc(F)cc2)CC(C)(C)c2c1[nH]c1cc(OC(=O)NN3CCN(C)CC3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.52

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
SCHEMBL273279 0.90 NR1H4 (0.66) NR1H4
SCHEMBL688998 0.89 NR1H4 (0.54) NR1H4
SCHEMBL689267 0.89 NR1H4 (0.57) NR1H4
SCHEMBL689518 0.89 NR1H4 (0.61) NR1H4
SCHEMBL687811 0.87 NR1H4 (0.54) NR1H4
SCHEMBL688618 0.86 NR1H4 (0.54) NR1H4
SCHEMBL689047 0.85 NR1H4 (0.52) NR1H4
SCHEMBL688915 0.85 NR1H4 (0.52) NR1H4
SCHEMBL688051 0.85 NR1H4 (0.55) NR1H4
SCHEMBL688022 0.85 NR1H4 (0.55) NR1H4

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
EP-1532153-B1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X CEPTOR THERAPEUTICS INC (US) 2012-02-29 EP claimed