SCHEMBL4785149

SCHEMBL4785149

Cc1nc2sccn2c1C(=O)NC[C@@H]1CCCCN1C(=O)c1nc(Br)sc1-c1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.59
HCRTR2 O43614 17/20 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
SCHEMBL4738995 0.98 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL4742527 0.94 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL4738336 0.93 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL4785147 0.93 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL4783536 0.91 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL4739234 0.91 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL4739920 0.91 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL3000689 0.90 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1398604 0.88 HCRTR1 (0.74) HCRTR1HCRTR2
SCHEMBL1398800 0.88 HCRTR1 (0.74) 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