SCHEMBL5757649

SCHEMBL5757649

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

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.67
CYP2D6 P10635 1/20 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
SCHEMBL2989275 1.00 CCR2 (0.67) CCR2CYP2D6
SCHEMBL3425636 1.00 CCR2 (0.67) CCR2CYP2D6
SCHEMBL5756396 0.92 CCR2 (0.59) CCR2
SCHEMBL5756401 0.92 CCR2 (0.59) CCR2
SCHEMBL2991013 0.92 CCR2 (0.59) CCR2
SCHEMBL3427293 0.85 CCR2 (0.60) CCR2
SCHEMBL2992114 0.85 CCR2 (0.60) CCR2
SCHEMBL2990164 0.84 CCR2 (0.57) CCR2
SCHEMBL3424689 0.84 CCR2 (0.57) CCR2
SCHEMBL5757482 0.84 CCR2 (0.57) CCR2

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