SCHEMBL4786355

SCHEMBL4786355

Cc1cccc(-c2sc(C)nc2C(=O)N2CCCC[C@H]2C(N)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.61
HCRTR2 O43614 20/20 0.61

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
SCHEMBL4741187 0.97 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL1398908 0.93 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL3053159 0.89 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL4739192 0.86 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL4786362 0.85 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL1029565 0.84 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL1398856 0.84 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL4742530 0.84 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3313447 0.83 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1398850 0.83 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