SCHEMBL6866831

SCHEMBL6866831

CS(=O)(=O)c1nc(C(=O)[C@@H](Nc2cc(C#N)ccn2)C2CCCCN2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HIPK4 Q8NE63 1/20 0.40
HCRTR1 O43613 8/20 0.37
HCRTR2 O43614 4/20 0.35
MAPK14 Q16539 4/20 0.32
GSK3B P49841 2/20 0.32
SCN9A Q15858 1/20 0.31

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
SCHEMBL1599003 0.91 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL1597174 0.79 CSNK1D (0.35) HCRTR1
SCHEMBL6885164 0.78 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL6885170 0.78 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL1597966 0.78 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL1597669 0.78 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1598185 0.76 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL1598899 0.76 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL6866828 0.75 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1597429 0.73 HCRTR1 (0.38) 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