SCHEMBL749236

SCHEMBL749236

O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(c3ccccn3)CC2)CC1O

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.78
KCNH2 Q12809 13/20 0.69

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
SCHEMBL742646 1.00 CCR2 (0.78) CCR2KCNH2
SCHEMBL764730 1.00 CCR2 (0.78) CCR2KCNH2
SCHEMBL12400727 1.00 CCR2 (0.78) CCR2KCNH2
SCHEMBL742647 1.00 CCR2 (0.78) CCR2KCNH2
SCHEMBL745171 0.88 CCR2 (0.72) CCR2KCNH2
SCHEMBL745172 0.88 CCR2 (0.72) CCR2KCNH2
SCHEMBL744507 0.88 CCR2 (0.74) CCR2KCNH2
SCHEMBL744508 0.88 CCR2 (0.74) CCR2KCNH2
SCHEMBL15721321 0.88 CCR2 (0.60) CCR2KCNH2
SCHEMBL747182 0.88 CCR2 (0.80) 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-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 EP disclosed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP disclosed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP disclosed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO disclosed