SCHEMBL4415932

SCHEMBL4415932

Cc1ccc(C2(O)CCC(N[C@@]3(C(=O)C4CCN(c5cc(C(F)(F)F)ccn5)CC4)CCNC3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.52
KCNH2 Q12809 5/20 0.52
SYK P43405 7/20 0.44
LCAT P04180 2/20 0.39
ADRB1 P08588 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL1377717 0.90 CCR2 (0.52) CCR2KCNH2SYKLCATADRB1
SCHEMBL4426357 0.90 CCR2 (0.53) CCR2KCNH2SYKLCATADRB1
SCHEMBL4427354 0.89 CCR2 (0.56) CCR2KCNH2SYKADRB1
SCHEMBL1381009 0.89 CCR2 (0.67) CCR2KCNH2SYK
SCHEMBL4563545 0.89 CCR2 (0.52) CCR2KCNH2LCATADRB1FFAR4
SCHEMBL4419069 0.88 CCR2 (0.56) CCR2KCNH2SYK
SCHEMBL1377287 0.83 CCR2 (0.62) CCR2KCNH2SYK
SCHEMBL1378358 0.80 CCR2 (0.67) CCR2KCNH2SYK
SCHEMBL4415934 0.79 CCR2 (0.80) CCR2KCNH2SYK
SCHEMBL4341507 0.79 CCR2 (0.80) CCR2KCNH2SYK

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