SCHEMBL1378644

SCHEMBL1378644

O=C(C1CC(c2cccc(C(F)(F)F)c2)=NO1)[C@]1(NC2CCC(O)(c3ccccn3)CC2)CCNC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.43
F10 P00742 1/20 0.40
KCNH2 Q12809 5/20 0.37
ATM Q13315 1/20 0.37
HSD11B1 P28845 1/20 0.37
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL1378787 0.92 CCR2 (0.47) CCR2F10KCNH2ATM
SCHEMBL1380862 0.86 CCR2 (0.39) CCR2F10KCNH2ATMHTT
SCHEMBL4416100 0.80 F10 (0.45) F10ATMHTTL3MBTL1
SCHEMBL1376539 0.79 CCR2 (0.52) CCR2KCNH2
SCHEMBL1378641 0.77 CCR2 (0.61) CCR2KCNH2
SCHEMBL1378645 0.77 CCR2 (0.61) CCR2KCNH2
SCHEMBL4563545 0.76 CCR2 (0.52) CCR2KCNH2
SCHEMBL4416623 0.73 F10 (0.36) F10ATMHTTL3MBTL1
SCHEMBL4425771 0.73 CCR2 (0.62) CCR2KCNH2
SCHEMBL1378358 0.72 CCR2 (0.67) 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
JP-4740151-B2 2011-08-03 JP claimed
EP-1696919-A4 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2009-07-01 EP claimed
EP-1696919-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS Incyte Corporation (US) 2006-09-06 EP claimed
WO-2005060665-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-07-07 WO claimed