SCHEMBL4787929

SCHEMBL4787929

Cc1nc(C(=O)N2CCC[C@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2cccc(Cl)c2)o1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.54
HCRTR2 O43614 13/20 0.54
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL4786378 0.91 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL4738226 0.90 HCRTR1 (0.50) HCRTR1HCRTR2HPGD
SCHEMBL4741194 0.89 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL4785950 0.87 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL4741186 0.86 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL1398819 0.85 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1398695 0.85 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL4741722 0.85 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL4787352 0.85 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL4739900 0.84 HCRTR1 (0.47) 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