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SCHEMBL5555828

SCHEMBL5555828

CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CCC2NC(=O)Cc2nc3c(C(F)(F)F)cccc3[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 20/20 1.00
▸ CYP2D6 P10635 1/20 0.51

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
SCHEMBL3423441 1.00 CCR2 (1.00) CCR2CYP2D6
SCHEMBL3423448 1.00 CCR2 (1.00) CCR2CYP2D6
SCHEMBL5554981 1.00 CCR2 (1.00) CCR2CYP2D6
SCHEMBL3425667 0.92 CCR2 (1.00) CCR2CYP2D6
SCHEMBL3423597 0.92 CCR2 (1.00) CCR2CYP2D6
SCHEMBL3423596 0.92 CCR2 (1.00) CCR2CYP2D6
SCHEMBL3424644 0.91 CCR2 (1.00) CCR2CYP2D6
SCHEMBL3424638 0.91 CCR2 (1.00) CCR2CYP2D6
SCHEMBL3426505 0.91 CCR2 (0.89) CCR2CYP2D6
SCHEMBL3425403 0.91 CCR2 (0.86) CCR2CYP2D6

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-1620391-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-10-31 — — EP claimed
EP-1620391-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-02-01 — — EP claimed
WO-2004098516-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-18 — — WO claimed