SCHEMBL687332

SCHEMBL687332

CCOC(=O)OC1=CN(C(=O)c2ccc(F)cc2)CC(C)(C)c2c1[nH]c1cc(OC(=O)N3CCOCC3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 18/20 0.53
KCNH2 Q12809 1/20 0.43
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL688022 0.94 NR1H4 (0.55) NR1H4SMN1; SMN2
SCHEMBL688051 0.94 NR1H4 (0.55) NR1H4SMN1; SMN2
SCHEMBL688906 0.93 NR1H4 (0.54) NR1H4SMN1; SMN2
SCHEMBL688998 0.92 NR1H4 (0.54) NR1H4SMN1; SMN2
SCHEMBL689518 0.90 NR1H4 (0.61) NR1H4
SCHEMBL274917 0.90 NR1H4 (0.68) NR1H4KCNH2
SCHEMBL688785 0.87 NR1H4 (0.51) NR1H4KCNH2
SCHEMBL688188 0.86 NR1H4 (0.52) NR1H4
SCHEMBL689489 0.86 NR1H4 (0.51) NR1H4SMN1; SMN2
SCHEMBL688945 0.86 NR1H4 (0.57) 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