SCHEMBL7108802

SCHEMBL7108802

O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCCC[C@@H]1NCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.68

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
SCHEMBL3895054 0.92 CCR2 (0.82) CCR2
SCHEMBL3895059 0.92 CCR2 (0.82) CCR2
SCHEMBL3895062 0.92 CCR2 (0.82) CCR2
SCHEMBL7108174 0.88 CCR2 (0.83) CCR2
SCHEMBL3892211 0.88 CCR2 (0.76) CCR2
SCHEMBL3892206 0.88 CCR2 (0.76) CCR2
SCHEMBL3892208 0.88 CCR2 (0.76) CCR2
SCHEMBL7108803 0.83 CCR2 (0.64) CCR2
SCHEMBL9912170 0.81 CCR2 (1.00) CCR2
SCHEMBL3887917 0.79 CCR2 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343751-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 EP claimed
WO-2002060859-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 WO claimed