SCHEMBL5236559

SCHEMBL5236559

O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@]1(C2CCC(NC(=O)c3ccccc3)CC2)CCNC1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.55
KCNH2 Q12809 4/20 0.51
GPR139 Q6DWJ6 1/20 0.47

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 0.89 CCR2 (0.52) CCR2KCNH2GPR139
SCHEMBL5241551 0.88 CCR2 (0.61) CCR2KCNH2GPR139
SCHEMBL5240139 0.87 GPR139 (0.46) CCR2KCNH2GPR139
SCHEMBL5239532 0.85 CCR2 (0.49) CCR2KCNH2GPR139
SCHEMBL5235055 0.85 CCR2 (0.51) CCR2KCNH2GPR139
SCHEMBL5311807 0.84 CCR2 (0.50) CCR2KCNH2
SCHEMBL5321602 0.84 CCR2 (0.49) CCR2KCNH2GPR139
SCHEMBL5313796 0.83 CCR2 (0.53) CCR2KCNH2GPR139
SCHEMBL5234857 0.82 CCR2 (0.52) CCR2KCNH2
SCHEMBL5308687 0.82 CCR2 (0.45) CCR2KCNH2GPR139

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 3 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 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