SCHEMBL5453850

SCHEMBL5453850

COc1ccc(N2CCC(N3CC[C@@H](NC(=O)CNC(=O)c4cccc(CC(F)(F)F)c4)C3)CC2)cn1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.62
KCNH2 Q12809 10/20 0.62

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
SCHEMBL1361108 0.90 CCR2 (0.76) CCR2KCNH2
SCHEMBL5308702 0.90 CCR2 (0.76) CCR2KCNH2
SCHEMBL5453845 0.88 CCR2 (0.67) CCR2KCNH2
SCHEMBL3261758 0.87 CCR2 (0.72) CCR2KCNH2
SCHEMBL747581 0.80 CCR2 (0.90) CCR2KCNH2
SCHEMBL1360364 0.79 CCR2 (0.75) CCR2KCNH2
SCHEMBL1360320 0.79 CCR2 (0.75) CCR2KCNH2
SCHEMBL1360322 0.79 CCR2 (0.75) CCR2KCNH2
SCHEMBL4112108 0.78 CCR2 (0.71) CCR2KCNH2
SCHEMBL14528971 0.78 CCR2 (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007053498-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-10 WO disclosed