SCHEMBL5237339

SCHEMBL5237339

COc1ccc(-c2ccc(C3(O)CCC(N4CCC(NC(=O)CNC(=O)c5cccc(C(F)(F)F)c5)C4)CC3)nc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.81
KCNH2 Q12809 8/20 0.81

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
SCHEMBL746252 1.00 CCR2 (0.81) CCR2KCNH2
SCHEMBL744246 0.95 CCR2 (0.77) CCR2KCNH2
SCHEMBL5236089 0.93 CCR2 (0.79) CCR2KCNH2
SCHEMBL744105 0.93 CCR2 (0.79) CCR2KCNH2
SCHEMBL745812 0.92 CCR2 (0.77) CCR2KCNH2
SCHEMBL746292 0.91 CCR2 (0.81) CCR2KCNH2
SCHEMBL745666 0.91 CCR2 (0.73) CCR2KCNH2
SCHEMBL745416 0.90 CCR2 (0.74) CCR2KCNH2
SCHEMBL743156 0.90 CCR2 (0.80) CCR2KCNH2
SCHEMBL743191 0.90 CCR2 (0.82) 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