SCHEMBL1379161

SCHEMBL1379161

COc1ccc([C@]2(O)CC[C@H](NC3CCN(C(=O)C4CCN(c5cc(C(F)(F)F)ccn5)CC4)C3)CC2)nc1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.77
KCNH2 Q12809 9/20 0.77

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
SCHEMBL1379159 1.00 CCR2 (0.77) CCR2KCNH2
SCHEMBL4322305 1.00 CCR2 (0.77) CCR2KCNH2
SCHEMBL4415934 0.90 CCR2 (0.80) CCR2KCNH2
SCHEMBL4341507 0.90 CCR2 (0.80) CCR2KCNH2
SCHEMBL1377173 0.89 CCR2 (0.74) CCR2KCNH2
SCHEMBL4563408 0.89 CCR2 (0.74) CCR2KCNH2
SCHEMBL13613101 0.88 CCR2 (0.78) CCR2KCNH2
SCHEMBL1377715 0.88 CCR2 (0.78) CCR2KCNH2
SCHEMBL1377149 0.87 CCR2 (0.80) CCR2KCNH2
SCHEMBL4426361 0.87 CCR2 (0.80) 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 4 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