SCHEMBL5752839

SCHEMBL5752839

CSc1ccc(S(=O)(=O)CC2CCCCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 1.00
CCR5 P51681 2/20 0.65
ADRB2 P07550 1/20 0.58
HRH1 P35367 1/20 0.58
DRD3 P35462 1/20 0.58
GLP1R P43220 1/20 0.58
FFAR4 Q5NUL3 1/20 0.58
GPR119 Q8TDV5 1/20 0.58

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
SCHEMBL2994408 1.00 CCR2 (1.00) CCR2CCR5ADRB2HRH1DRD3
SCHEMBL2981544 0.99 CCR2 (1.00) CCR2CCR5ADRB2HRH1DRD3
SCHEMBL5857000 0.99 CCR2 (1.00) CCR2CCR5ADRB2HRH1DRD3
SCHEMBL2983146 0.99 CCR2 (1.00) CCR2CCR5ADRB2HRH1DRD3
SCHEMBL2985813 0.95 CCR2 (0.91) CCR2CCR5ADRB2HRH1DRD3
SCHEMBL2985811 0.95 CCR2 (0.91) CCR2CCR5ADRB2HRH1DRD3
SCHEMBL2983576 0.95 CCR2 (0.90) CCR2CCR5ADRB2HRH1DRD3
SCHEMBL2991141 0.95 CCR2 (1.00) CCR2CCR5ADRB2HRH1DRD3
SCHEMBL2989751 0.92 CCR2 (0.85) CCR2CCR5ADRB2HRH1DRD3
SCHEMBL5856526 0.92 CCR2 (0.85) CCR2CCR5ADRB2HRH1DRD3

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