SCHEMBL1398703

SCHEMBL1398703

Cc1ccc(-c2ccccc2C(=O)N2CC[C@@H]2CNC(=O)c2cnc3scc(C)n23)cc1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.44
HCRTR2 O43614 13/20 0.44
IDO1 P14902 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1398622 1.00 HCRTR1 (0.44) HCRTR1HCRTR2IDO1KDM4EALDH1A1
SCHEMBL1398617 1.00 HCRTR1 (0.44) HCRTR1HCRTR2IDO1KDM4EALDH1A1
SCHEMBL1398902 0.87 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398876 0.86 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398634 0.86 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398777 0.86 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398665 0.86 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398842 0.86 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398688 0.86 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5
SCHEMBL1398667 0.86 HCRTR1 (0.44) HCRTR1HCRTR2CHRM2CHRM4CHRM5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US disclosed
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP disclosed