SCHEMBL5236905

SCHEMBL5236905

O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@]1(C2CCC(O)(c3ccc(-c4ncco4)cc3)CC2)CCNC1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.51
KCNH2 Q12809 15/20 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
SCHEMBL5240470 0.90 CCR2 (0.50) CCR2KCNH2
SCHEMBL6015062 0.87 CCR2 (0.59) CCR2KCNH2
SCHEMBL5236958 0.86 CCR2 (0.55) CCR2KCNH2
SCHEMBL5235796 0.86 CCR2 (0.49) CCR2KCNH2
SCHEMBL5238947 0.86 CCR2 (0.55) CCR2KCNH2
SCHEMBL6015033 0.86 CCR2 (0.57) CCR2KCNH2
SCHEMBL5238845 0.85 CCR2 (0.53) CCR2KCNH2
SCHEMBL5234857 0.85 CCR2 (0.52) CCR2KCNH2
SCHEMBL5241042 0.84 CCR2 (0.51) CCR2KCNH2
SCHEMBL5236210 0.84 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 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