SCHEMBL4743852

SCHEMBL4743852

CCc1ccc(-c2sc(C)nc2C(=O)N2CCCC[C@H]2CNC(=O)c2c(C)nc3sccn23)cc1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.59
HCRTR2 O43614 16/20 0.59

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
SCHEMBL1398766 0.95 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL1398672 0.95 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL1398572 0.95 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL4739907 0.92 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL4743880 0.89 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL4742389 0.88 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL1398551 0.88 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL1398644 0.88 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL1398872 0.88 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL4740980 0.87 HCRTR1 (0.60) 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