SCHEMBL5310333

SCHEMBL5310333

O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@]1(C2CCNCC2)CCNC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.52
GPR139 Q6DWJ6 1/20 0.48
KCNH2 Q12809 7/20 0.47

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
SCHEMBL5241551 0.92 CCR2 (0.61) CCR2GPR139KCNH2
SCHEMBL5236559 0.89 CCR2 (0.55) CCR2GPR139KCNH2
SCHEMBL5311807 0.88 CCR2 (0.50) CCR2KCNH2
SCHEMBL5240139 0.87 GPR139 (0.46) CCR2GPR139KCNH2
SCHEMBL5239532 0.87 CCR2 (0.49) CCR2GPR139KCNH2
SCHEMBL5321602 0.87 CCR2 (0.49) CCR2GPR139KCNH2
SCHEMBL5236385 0.86 CCR2 (0.62) CCR2KCNH2
SCHEMBL6015062 0.86 CCR2 (0.59) CCR2KCNH2
SCHEMBL5238845 0.86 CCR2 (0.53) CCR2KCNH2
SCHEMBL5239383 0.86 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 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