SCHEMBL4563545

SCHEMBL4563545

O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)[C@]1(NC2CCC(O)(c3ccccn3)CC2)CCNC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.52
KCNH2 Q12809 5/20 0.52
CHRM4 P08173 2/20 0.41
ADRB1 P08588 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
LCAT P04180 2/20 0.39
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL1381009 0.90 CCR2 (0.67) CCR2KCNH2
SCHEMBL1376539 0.89 CCR2 (0.52) CCR2KCNH2
SCHEMBL4415932 0.89 CCR2 (0.52) CCR2KCNH2ADRB1FFAR4LCAT
SCHEMBL4426357 0.88 CCR2 (0.53) CCR2KCNH2CHRM4ADRB1FFAR4
SCHEMBL4419069 0.87 CCR2 (0.56) CCR2KCNH2
SCHEMBL4427354 0.87 CCR2 (0.56) CCR2KCNH2ADRB1
SCHEMBL1377717 0.86 CCR2 (0.52) CCR2KCNH2ADRB1FFAR4LCAT
SCHEMBL1377287 0.83 CCR2 (0.62) CCR2KCNH2
SCHEMBL1378358 0.80 CCR2 (0.67) CCR2KCNH2
SCHEMBL4332696 0.78 CCR2 (0.82) 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