SCHEMBL4415917

SCHEMBL4415917

O=C(COCc1cccc(C(F)(F)F)c1)N1CCC(NC2CCC(O)(c3ccc(-c4ncccn4)cn3)CC2)C1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.73
KCNH2 Q12809 8/20 0.73

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
SCHEMBL4327671 1.00 CCR2 (0.73) CCR2KCNH2
SCHEMBL4327667 0.92 CCR2 (0.67) CCR2KCNH2
SCHEMBL4331688 0.91 CCR2 (0.69) CCR2KCNH2
SCHEMBL4565870 0.91 CCR2 (0.69) CCR2KCNH2
Pf-4136309 SCHEMBL1377713 0.84 CCR2 (1.00) CCR2KCNH2
Pf-4136309 SCHEMBL13613003 0.84 CCR2 (1.00) CCR2KCNH2
SCHEMBL13627029 0.82 CCR2 (0.52) CCR2KCNH2
SCHEMBL1378000 0.81 CCR2 (0.90) CCR2KCNH2
SCHEMBL4425772 0.81 CCR2 (0.90) CCR2KCNH2
SCHEMBL4414421 0.81 CCR2 (0.94) 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
US-7576089-B2 3-cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION 2009-08-18 US disclosed
EP-1696919-A4 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2009-07-01 EP disclosed
EP-1696919-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS Incyte Corporation (US) 2006-09-06 EP disclosed
WO-2005060665-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-07-07 WO disclosed