SCHEMBL5237791

SCHEMBL5237791

O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.85
KCNH2 Q12809 9/20 0.85

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
SCHEMBL744227 0.96 CCR2 (0.89) CCR2KCNH2
SCHEMBL745586 0.95 CCR2 (0.80) CCR2KCNH2
SCHEMBL5239390 0.94 CCR2 (0.79) CCR2KCNH2
SCHEMBL745106 0.94 CCR2 (0.81) CCR2KCNH2
SCHEMBL743864 0.94 CCR2 (0.79) CCR2KCNH2
SCHEMBL743714 0.94 CCR2 (0.79) CCR2KCNH2
SCHEMBL744188 0.93 CCR2 (0.89) CCR2KCNH2
SCHEMBL745031 0.92 CCR2 (0.78) CCR2KCNH2
SCHEMBL744795 0.92 CCR2 (0.90) CCR2KCNH2
SCHEMBL746664 0.92 CCR2 (1.00) CCR2KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP claimed
JP-2006516145-A 2006-06-22 JP claimed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP claimed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO claimed