SCHEMBL1380862

SCHEMBL1380862

CN(C)Cc1ccc(C2(O)CCC(N[C@@]3(C(=O)C4CC(c5cccc(C(F)(F)F)c5)=NO4)CCNC3)CC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.39
KCNH2 Q12809 8/20 0.39
ATM Q13315 1/20 0.38
F10 P00742 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CRHR1 P34998 1/20 0.34
PIM1 P11309 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 0.88 CCR2 (0.47) CCR2KCNH2ATMF10
SCHEMBL1378644 0.86 CCR2 (0.43) CCR2KCNH2ATMF10HTT
SCHEMBL1380865 0.81 CCR2 (0.54) CCR2KCNH2
SCHEMBL1380861 0.81 CCR2 (0.54) CCR2KCNH2
SCHEMBL4416100 0.75 F10 (0.45) ATMF10HTTL3MBTL1
SCHEMBL4420452 0.72 CCR2 (0.52) CCR2KCNH2
SCHEMBL1376604 0.71 CCR2 (0.53) CCR2KCNH2
SCHEMBL5319253 0.71 CCR2 (0.50) CCR2KCNH2
SCHEMBL4425771 0.70 CCR2 (0.62) CCR2KCNH2
SCHEMBL1378358 0.70 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