SCHEMBL4420729

SCHEMBL4420729

O=C(C1CCN(c2nccc(C(F)(F)F)n2)C1)[C@]1(NC2CCC(O)(c3ccc(-c4ncccn4)cn3)CC2)CCNC1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 14/20 0.65
KCNH2 Q12809 7/20 0.65
ACACB O00763 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
SLC6A7 Q99884 1/20 0.36
SYK P43405 2/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL4562632 0.96 CCR2 (0.67) CCR2KCNH2SLC6A7SYK
SCHEMBL4422389 0.91 CCR2 (0.65) CCR2KCNH2ACACB
SCHEMBL4416071 0.86 CCR2 (0.53) CCR2KCNH2
SCHEMBL4414418 0.85 CCR2 (0.65) CCR2KCNH2SYK
SCHEMBL1381009 0.84 CCR2 (0.67) CCR2KCNH2SYK
SCHEMBL1377287 0.83 CCR2 (0.62) CCR2KCNH2SYK
SCHEMBL1378358 0.82 CCR2 (0.67) CCR2KCNH2SYK
SCHEMBL4337987 0.82 CCR2 (0.94) CCR2KCNH2
SCHEMBL4420733 0.82 CCR2 (0.94) CCR2KCNH2
SCHEMBL4425771 0.81 CCR2 (0.62) 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