SCHEMBL7106790

SCHEMBL7106790

CC(=O)c1cnc(NC[C@@H]2CCCCN2C(=O)c2nn(C)cc2-c2ccc(F)cc2)nc1.CC(O)c1cnc(NC[C@@H]2CCCCN2C(=O)c2nn(C)cc2-c2ccc(F)cc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.51
HCRTR2 O43614 4/20 0.49

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
SCHEMBL7106783 1.00 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1598081 0.95 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL1598084 0.95 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL1598079 0.95 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL1597991 0.94 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL7106787 0.89 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL1596657 0.85 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1596655 0.85 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1597240 0.83 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1597089 0.83 HCRTR1 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385845-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2004-02-04 EP disclosed
WO-2002090355-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. (GB) 2002-11-14 WO disclosed