SCHEMBL1378787

SCHEMBL1378787

O=C(C1CC(c2cccc(C(F)(F)F)c2)=NO1)[C@]1(NC2CCC(O)(c3ccc(-c4ncccn4)cn3)CC2)CCNC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.47
KCNH2 Q12809 8/20 0.47
F10 P00742 1/20 0.39
SYK P43405 2/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL1378644 0.92 CCR2 (0.43) CCR2KCNH2F10ATM
SCHEMBL1380862 0.88 CCR2 (0.39) CCR2KCNH2F10ATM
SCHEMBL4425771 0.82 CCR2 (0.62) CCR2KCNH2SYK
SCHEMBL1378358 0.81 CCR2 (0.67) CCR2KCNH2SYK
SCHEMBL4414418 0.80 CCR2 (0.65) CCR2KCNH2SYK
SCHEMBL1378789 0.80 CCR2 (0.71) CCR2KCNH2
SCHEMBL1378786 0.80 CCR2 (0.71) CCR2KCNH2
SCHEMBL1377287 0.79 CCR2 (0.62) CCR2KCNH2SYK
SCHEMBL1381009 0.79 CCR2 (0.67) CCR2KCNH2SYK
SCHEMBL4416100 0.77 F10 (0.45) F10ATM

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