SCHEMBL1381377

SCHEMBL1381377

O=C(C1CCN(c2cc(C(F)(F)F)ncn2)CC1)[C@]1(NC2CCC(O)(c3ccc(-c4ncccn4)nc3)CC2)CCNC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.49
KCNH2 Q12809 8/20 0.38
LCAT P04180 2/20 0.33
ITGB2 P05107 2/20 0.33
ICAM1 P05362 2/20 0.33
ITGAL P20701 2/20 0.33
PARP1 P09874 1/20 0.32

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
SCHEMBL4331493 0.80 CCR2 (0.75) CCR2KCNH2
SCHEMBL1381009 0.76 CCR2 (0.67) CCR2KCNH2
SCHEMBL4563545 0.75 CCR2 (0.52) CCR2KCNH2LCAT
SCHEMBL4562632 0.73 CCR2 (0.67) CCR2KCNH2LCAT
SCHEMBL4426357 0.72 CCR2 (0.53) CCR2KCNH2LCAT
SCHEMBL4422389 0.72 CCR2 (0.65) CCR2KCNH2
SCHEMBL4415932 0.72 CCR2 (0.52) CCR2KCNH2LCAT
SCHEMBL1378358 0.72 CCR2 (0.67) CCR2KCNH2
SCHEMBL1377717 0.71 CCR2 (0.52) CCR2KCNH2LCAT
SCHEMBL4420729 0.71 CCR2 (0.65) 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