SCHEMBL4787989

SCHEMBL4787989

COc1cccc(-c2sc(C)nc2C(=O)N2CCCC[C@H]2CNC(=O)c2c(C)nc3sccn23)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.66
HCRTR2 O43614 20/20 0.66

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
SCHEMBL1398711 0.95 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL1398727 0.95 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL1398697 0.95 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL4742527 0.90 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL4741722 0.90 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL4738267 0.90 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL3007627 0.89 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL4785950 0.88 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL4783536 0.88 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL4743880 0.88 HCRTR1 (0.67) 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