SCHEMBL745733

SCHEMBL745733

CN(C)Cc1ccc(C2(O)CCC(N3CCC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.75
KCNH2 Q12809 8/20 0.70

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
SCHEMBL745732 1.00 CCR2 (0.75) CCR2KCNH2
SCHEMBL744134 0.90 CCR2 (0.75) CCR2KCNH2
SCHEMBL744135 0.90 CCR2 (0.75) CCR2KCNH2
SCHEMBL744136 0.90 CCR2 (0.75) CCR2KCNH2
SCHEMBL5233885 0.90 CCR2 (0.74) CCR2KCNH2
SCHEMBL744875 0.90 CCR2 (0.76) CCR2KCNH2
SCHEMBL746526 0.90 CCR2 (0.71) CCR2KCNH2
SCHEMBL746426 0.89 CCR2 (0.80) CCR2KCNH2
SCHEMBL747307 0.89 CCR2 (0.82) CCR2KCNH2
SCHEMBL745061 0.88 CCR2 (0.78) 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