SCHEMBL1381009

SCHEMBL1381009

O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)[C@]1(NC2CCC(O)(c3ccc(-c4ncccn4)cn3)CC2)CCNC1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 14/20 0.67
KCNH2 Q12809 7/20 0.67
SYK P43405 6/20 0.42

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
SCHEMBL1377287 0.94 CCR2 (0.62) CCR2KCNH2SYK
SCHEMBL4419069 0.92 CCR2 (0.56) CCR2KCNH2SYK
SCHEMBL4427354 0.92 CCR2 (0.56) CCR2KCNH2SYK
SCHEMBL1378358 0.90 CCR2 (0.67) CCR2KCNH2SYK
SCHEMBL4563545 0.90 CCR2 (0.52) CCR2KCNH2
SCHEMBL4426357 0.90 CCR2 (0.53) CCR2KCNH2SYK
SCHEMBL4415932 0.89 CCR2 (0.52) CCR2KCNH2SYK
SCHEMBL1377717 0.88 CCR2 (0.52) CCR2KCNH2SYK
SCHEMBL4414418 0.88 CCR2 (0.65) CCR2KCNH2SYK
SCHEMBL4416071 0.87 CCR2 (0.53) 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 7 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
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