SCHEMBL689489

SCHEMBL689489

CCOC(=O)OC1=CN(C(=O)c2ccc(F)cc2)CC(C)(C)c2c1[nH]c1cc(OC(=O)N3CCN(c4ccccn4)CC3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.51
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 2/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
HPGD P15428 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
SCHEMBL273666 0.91 NR1H4 (0.64) NR1H4
SCHEMBL688998 0.88 NR1H4 (0.54) NR1H4ALDH1A1SMN1; SMN2
SCHEMBL688051 0.88 NR1H4 (0.55) NR1H4ALDH1A1SMN1; SMN2
SCHEMBL688022 0.88 NR1H4 (0.55) NR1H4ALDH1A1SMN1; SMN2
SCHEMBL688906 0.87 NR1H4 (0.54) NR1H4ALDH1A1SMN1; SMN2
SCHEMBL687332 0.86 NR1H4 (0.53) NR1H4SMN1; SMN2
SCHEMBL6886319 0.85 NR1H4 (0.56) NR1H4
SCHEMBL689518 0.85 NR1H4 (0.61) NR1H4
SCHEMBL689570 0.84 NR1H4 (0.53) NR1H4
SCHEMBL688786 0.84 NR1H4 (0.61) 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