SCHEMBL4607477

SCHEMBL4607477

CNC(=O)c1cccc(C(=O)Nc2ccc([C@@H]3CCC[C@@H]3NS(=O)(=O)C(C)C)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 13/20 0.57
GRIA2 P42262 4/20 0.55
KCNH2 Q12809 2/20 0.44
DGAT1 O75907 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA2B P08514 1/20 0.40
ITGB5 P18084 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL4607636 1.00 GRIA4 (0.57) GRIA4GRIA2KCNH2DGAT1ITGB3
SCHEMBL4606949 0.92 GRIA4 (0.60) GRIA4GRIA2
SCHEMBL4606558 0.92 GRIA4 (0.60) GRIA4GRIA2
SCHEMBL4606805 0.90 GRIA4 (0.55) GRIA4GRIA2KCNH2
SCHEMBL4605829 0.89 GRIA4 (0.56) GRIA4GRIA2KCNH2ITGB3ITGB1
SCHEMBL4607371 0.89 GRIA4 (0.56) GRIA4GRIA2KCNH2ITGB3ITGB1
SCHEMBL4607075 0.89 GRIA4 (0.70) GRIA4GRIA2
SCHEMBL4607600 0.89 GRIA4 (0.70) GRIA4GRIA2
SCHEMBL4605833 0.88 GRIA4 (0.55) GRIA4GRIA2KCNH2
SCHEMBL4605831 0.88 GRIA4 (0.55) GRIA4GRIA2KCNH2

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-1246797-B1 CYCLOPENTYL SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2008-07-23 EP claimed
EP-1246797-B1 CYCLOPENTYL SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2008-07-23 EP disclosed