SCHEMBL6866828

SCHEMBL6866828

CS(=O)(=O)c1nc(C(=O)N2CCCC[C@H]2CNc2cc(C#N)ccn2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.52
HCRTR2 O43614 14/20 0.52

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
SCHEMBL1599001 0.90 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL1597171 0.80 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL1597962 0.77 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL5026551 0.77 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL5026554 0.77 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL1597666 0.77 HCRTR1 (0.82) HCRTR1HCRTR2
SCHEMBL5024328 0.76 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL1598947 0.76 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL6866831 0.75 HIPK4 (0.40) HCRTR1HCRTR2
SCHEMBL1598896 0.75 HCRTR1 (0.61) 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