SCHEMBL5239532

SCHEMBL5239532

O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@]1(C2CCC(O)(c3ccccc3F)CC2)CCNC1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.49
KCNH2 Q12809 11/20 0.49
GPR139 Q6DWJ6 1/20 0.44

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
SCHEMBL5310333 0.87 CCR2 (0.52) CCR2KCNH2GPR139
SCHEMBL5239664 0.87 CCR2 (0.60) CCR2KCNH2
SCHEMBL5241551 0.87 CCR2 (0.61) CCR2KCNH2GPR139
SCHEMBL5236385 0.86 CCR2 (0.62) CCR2KCNH2
SCHEMBL6015062 0.86 CCR2 (0.59) CCR2KCNH2
SCHEMBL5238845 0.86 CCR2 (0.53) CCR2KCNH2
SCHEMBL5234857 0.86 CCR2 (0.52) CCR2KCNH2
SCHEMBL5239383 0.86 CCR2 (0.51) CCR2KCNH2
SCHEMBL5236559 0.85 CCR2 (0.55) CCR2KCNH2GPR139
SCHEMBL5234542 0.85 CCR2 (0.51) 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