SCHEMBL4425771

SCHEMBL4425771

O=C(C1CN(c2cccc(C(F)(F)F)c2)C1)[C@]1(NC2CCC(O)(c3ccc(-c4ncccn4)cn3)CC2)CCNC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.62
KCNH2 Q12809 9/20 0.62
SYK P43405 2/20 0.40

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
SCHEMBL4414418 0.95 CCR2 (0.65) CCR2KCNH2SYK
SCHEMBL1378358 0.94 CCR2 (0.67) CCR2KCNH2SYK
SCHEMBL1377287 0.90 CCR2 (0.62) CCR2KCNH2SYK
SCHEMBL1381009 0.85 CCR2 (0.67) CCR2KCNH2SYK
SCHEMBL4416071 0.85 CCR2 (0.53) CCR2KCNH2
SCHEMBL1376539 0.83 CCR2 (0.52) CCR2KCNH2
SCHEMBL4422389 0.83 CCR2 (0.65) CCR2KCNH2
SCHEMBL1378787 0.82 CCR2 (0.47) CCR2KCNH2SYK
SCHEMBL4420729 0.81 CCR2 (0.65) CCR2KCNH2SYK
SCHEMBL1378000 0.80 CCR2 (0.90) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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