SCHEMBL5024328

SCHEMBL5024328

Cc1nc(C(=O)N2CCCCC2CNc2ccccn2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.69
HCRTR2 O43614 13/20 0.69

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
SCHEMBL1596542 0.91 HCRTR1 (0.80) HCRTR1HCRTR2
SCHEMBL1598947 0.89 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL4547533 0.89 HCRTR1 (0.77) HCRTR1HCRTR2
SCHEMBL1598512 0.88 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL1598511 0.88 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL1597948 0.88 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL1597947 0.88 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL5022188 0.88 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL1598207 0.88 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL1596399 0.87 HCRTR1 (0.65) 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
EP-1385845-B1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2008-01-09 EP claimed