SCHEMBL1376539

SCHEMBL1376539

O=C(C1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@]1(NC2CCC(O)(c3ccccn3)CC2)CCNC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.52
KCNH2 Q12809 3/20 0.52
TRPV1 Q8NER1 4/20 0.42
NOTUM Q6P988 1/20 0.41
PHGDH O43175 3/20 0.39
POLB P06746 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2C P28335 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL1378358 0.90 CCR2 (0.67) CCR2KCNH2TRPV1
SCHEMBL4563545 0.89 CCR2 (0.52) CCR2KCNH2
SCHEMBL4414418 0.86 CCR2 (0.65) CCR2KCNH2NOTUM
SCHEMBL4425771 0.83 CCR2 (0.62) CCR2KCNH2
SCHEMBL1381009 0.80 CCR2 (0.67) CCR2KCNH2
SCHEMBL1378644 0.79 CCR2 (0.43) CCR2KCNH2
SCHEMBL4415932 0.79 CCR2 (0.52) CCR2KCNH2
SCHEMBL1376542 0.78 CCR2 (0.82) CCR2KCNH2
SCHEMBL1376537 0.78 CCR2 (0.82) CCR2KCNH2
SCHEMBL4426357 0.77 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