SCHEMBL5756396

SCHEMBL5756396

CSc1ccc(S(=O)(=O)CC2C[C@H](N(C)C)CCC2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.59
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CTSK P43235 1/20 0.41

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
SCHEMBL5756401 1.00 CCR2 (0.59) CCR2MAOAMAOBCTSK
SCHEMBL2991013 1.00 CCR2 (0.59) CCR2MAOAMAOBCTSK
SCHEMBL2989275 0.92 CCR2 (0.67) CCR2
SCHEMBL5757649 0.92 CCR2 (0.67) CCR2
SCHEMBL3425636 0.92 CCR2 (0.67) CCR2
SCHEMBL2990164 0.87 CCR2 (0.57) CCR2MAOAMAOBCTSK
SCHEMBL3424689 0.87 CCR2 (0.57) CCR2MAOAMAOBCTSK
SCHEMBL5757482 0.87 CCR2 (0.57) CCR2MAOAMAOBCTSK
SCHEMBL2986117 0.84 CCR2 (0.62) CCR2MAOAMAOBCTSK
SCHEMBL3427293 0.83 CCR2 (0.60) CCR2CTSK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483241-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2006-12-13 EP disclosed
EP-1483241-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2004-12-08 EP disclosed
WO-2003075853-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-18 WO disclosed