SCHEMBL2485181

SCHEMBL2485181

COc1ncc(C2(O)CCC(N(C(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C3CNC3)CC2)cc1C

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.67
KCNH2 Q12809 16/20 0.67

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
SCHEMBL627764 0.88 CCR2 (0.66) CCR2KCNH2
SCHEMBL2486899 0.85 CCR2 (0.68) CCR2KCNH2
SCHEMBL2481823 0.84 CCR2 (0.65) CCR2KCNH2
SCHEMBL2484647 0.84 CCR2 (0.48) CCR2KCNH2
SCHEMBL2485103 0.84 CCR2 (0.62) CCR2KCNH2
SCHEMBL647707 0.84 CCR2 (0.60) CCR2KCNH2
SCHEMBL2486888 0.84 CCR2 (0.67) CCR2KCNH2
SCHEMBL5236098 0.84 CCR2 (0.63) CCR2KCNH2
SCHEMBL5236085 0.84 CCR2 (0.63) CCR2KCNH2
SCHEMBL3719908 0.83 CCR2 (0.61) 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-2376475-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 Janssen Pharmaceutica N.V. (BE) 2011-10-19 EP disclosed
WO-2010068663-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-06-17 WO disclosed