SCHEMBL4740957

SCHEMBL4740957

Cc1nc(-c2ccc(C(F)(F)F)cc2)c(C(=O)N2CCC[C@H]2CNC(=O)c2c(C)nc3sccn23)s1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.54
HCRTR2 O43614 12/20 0.54

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
SCHEMBL1398806 0.95 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL4743893 0.92 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL4786332 0.90 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL4741690 0.90 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL1398841 0.88 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL1398798 0.87 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1398768 0.87 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL4739904 0.86 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1398754 0.86 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1398771 0.85 HCRTR1 (0.52) HCRTR1HCRTR2

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
WO-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 WO disclosed