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SCHEMBL5790779

SCHEMBL5790779

CC(C)N[C@H]1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1CS(=O)(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 20/20 1.00
▸ CYP2D6 P10635 1/20 0.73
▸ CCR5 P51681 1/20 0.71

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
SCHEMBL2984129 1.00 CCR2 (1.00) CCR2CYP2D6CCR5
SCHEMBL5030516 0.88 CCR2 (0.78) CCR2CYP2D6
SCHEMBL5792369 0.86 CCR2 (1.00) CCR2CYP2D6CCR5
SCHEMBL5792728 0.86 CCR2 (1.00) CCR2CYP2D6CCR5
SCHEMBL5855470 0.86 CCR2 (1.00) CCR2CYP2D6CCR5
SCHEMBL2993227 0.86 CCR2 (1.00) CCR2CYP2D6CCR5
SCHEMBL2998305 0.86 CCR2 (1.00) CCR2CYP2D6
Trifluoroacetic Acid SCHEMBL2987736 0.85 CCR2 (0.94) CCR2CYP2D6
SCHEMBL5029229 0.85 CCR2 (0.84) CCR2CYP2D6
SCHEMBL5029224 0.85 CCR2 (0.84) 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-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