SCHEMBL4787230

SCHEMBL4787230

Cc1nc2sccn2c1C(=O)NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.63
HCRTR2 O43614 15/20 0.63

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
SCHEMBL4787256 0.91 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL4742498 0.91 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL4786488 0.91 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL4787212 0.88 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL4742398 0.88 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL4785103 0.86 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL1398535 0.85 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL27780549 0.84 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL496125 0.83 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL4743880 0.82 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