SCHEMBL5313796

SCHEMBL5313796

O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@]1(C2CCCN(c3ccccc3)CC2)CCNC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.53
KCNH2 Q12809 5/20 0.48
GPR139 Q6DWJ6 1/20 0.44

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
SCHEMBL5311807 0.92 CCR2 (0.50) CCR2KCNH2
SCHEMBL5311389 0.90 CCR2 (0.48) CCR2KCNH2
SCHEMBL5309114 0.89 CCR2 (0.45) CCR2KCNH2
SCHEMBL5309500 0.89 CCR2 (0.52) CCR2KCNH2
SCHEMBL5311870 0.87 CCR2 (0.48) CCR2KCNH2
SCHEMBL5312327 0.87 CCR2 (0.52) CCR2KCNH2GPR139
SCHEMBL5312494 0.86 CCR2 (0.49) CCR2KCNH2GPR139
SCHEMBL5311594 0.86 CCR2 (0.46) CCR2KCNH2
SCHEMBL5313062 0.86 CCR2 (0.45) CCR2KCNH2
SCHEMBL5312516 0.86 KCNH2 (0.45) 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-2007053495-A2 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-10 WO disclosed