SCHEMBL5740893

SCHEMBL5740893

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

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.80

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
SCHEMBL2985948 0.89 CCR2 (1.00) CCR2
SCHEMBL2988924 0.89 CCR2 (0.88) CCR2
SCHEMBL2993760 0.89 CCR2 (0.88) CCR2
SCHEMBL5742691 0.88 CCR2 (0.81) CCR2
SCHEMBL5742686 0.88 CCR2 (0.81) CCR2
Trifluoroacetic Acid SCHEMBL2985848 0.86 CCR2 (0.94) CCR2
Trifluoroacetic Acid SCHEMBL2993694 0.86 CCR2 (0.83) CCR2
Trifluoroacetic Acid SCHEMBL3082263 0.86 CCR2 (0.83) CCR2
SCHEMBL2979660 0.85 CCR2 (0.73) CCR2
SCHEMBL5854176 0.85 CCR2 (0.73) 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 claimed
EP-1483241-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2004-12-08 EP claimed
WO-2003075853-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-18 WO claimed