SCHEMBL5794475

SCHEMBL5794475

CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)C)CCC2N(C)C(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.75

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
SCHEMBL5742683 1.00 CCR2 (0.75) CCR2
SCHEMBL2992270 1.00 CCR2 (0.75) CCR2
SCHEMBL2979660 0.88 CCR2 (0.73) CCR2
SCHEMBL5854176 0.88 CCR2 (0.73) CCR2
SCHEMBL2998305 0.85 CCR2 (1.00) CCR2
SCHEMBL5742691 0.85 CCR2 (0.81) CCR2
SCHEMBL5742686 0.85 CCR2 (0.81) CCR2
SCHEMBL2994798 0.84 CCR2 (0.89) CCR2
Trifluoroacetic Acid SCHEMBL2987736 0.83 CCR2 (0.94) CCR2
Trifluoroacetic Acid SCHEMBL2986719 0.82 CCR2 (0.84) 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