SCHEMBL749389

SCHEMBL749389

O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(c3ccc(C(O)c4cccnc4)cc3)CC2)C1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.71
KCNH2 Q12809 12/20 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
SCHEMBL745514 1.00 CCR2 (0.71) CCR2KCNH2
SCHEMBL744531 0.92 CCR2 (0.70) CCR2KCNH2
SCHEMBL744548 0.89 CCR2 (0.89) CCR2KCNH2
SCHEMBL744150 0.87 CCR2 (0.77) CCR2KCNH2
SCHEMBL27836795 0.84 CCR2 (0.90) CCR2KCNH2
SCHEMBL745832 0.84 CCR2 (0.76) CCR2KCNH2
SCHEMBL13331700 0.84 CCR2 (1.00) CCR2KCNH2
SCHEMBL745771 0.82 CCR2 (0.75) CCR2KCNH2
SCHEMBL743240 0.81 CCR2 (0.73) CCR2KCNH2
SCHEMBL746297 0.81 CCR2 (0.75) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 EP claimed
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