SCHEMBL633301

SCHEMBL633301

COc1ccc(C2(O)CCC(N(C(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C3CNC3)CC2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.51
KCNH2 Q12809 17/20 0.51

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
SCHEMBL634407 0.87 CCR2 (0.62) CCR2KCNH2
SCHEMBL633423 0.86 CCR2 (0.48) CCR2KCNH2
SCHEMBL647707 0.86 CCR2 (0.60) CCR2KCNH2
SCHEMBL627764 0.85 CCR2 (0.66) CCR2KCNH2
SCHEMBL633159 0.85 CCR2 (0.53) CCR2KCNH2
SCHEMBL3719908 0.85 CCR2 (0.61) CCR2KCNH2
SCHEMBL634402 0.84 CCR2 (0.52) CCR2KCNH2
SCHEMBL633308 0.84 CCR2 (0.53) CCR2KCNH2
SCHEMBL634029 0.84 CCR2 (0.52) CCR2KCNH2
SCHEMBL633314 0.84 CCR2 (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419419-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
WO-2010121046-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed