SCHEMBL4742527

SCHEMBL4742527

Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2cccc(F)c2)s1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.67
HCRTR2 O43614 20/20 0.67

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
SCHEMBL4783536 0.98 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL1398604 0.95 HCRTR1 (0.74) HCRTR1HCRTR2
SCHEMBL1398775 0.95 HCRTR1 (0.74) HCRTR1HCRTR2
SCHEMBL1398800 0.95 HCRTR1 (0.74) HCRTR1HCRTR2
SCHEMBL4738336 0.94 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL4785149 0.94 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL4740980 0.93 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL4739234 0.91 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL4738995 0.91 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL4741722 0.91 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