SCHEMBL7155259

SCHEMBL7155259

CC(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 13/20 0.68
SIGMAR1 Q99720 3/20 0.58
KCNH2 Q12809 1/20 0.55
DRD4 P21917 1/20 0.53

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
SCHEMBL6495888 0.89 CCR8 (0.79) CCR8SIGMAR1
SCHEMBL6504436 0.83 CCR8 (0.81) CCR8SIGMAR1KCNH2
SCHEMBL6505051 0.80 CCR8 (0.54) CCR8SIGMAR1
SCHEMBL6506018 0.80 CCR8 (1.00) CCR8SIGMAR1KCNH2
SCHEMBL3164487 0.80 SIGMAR1 (0.74) SIGMAR1DRD4
SCHEMBL7067262 0.79 SIGMAR1 (0.55) CCR8SIGMAR1KCNH2DRD4
SCHEMBL6505985 0.79 CCR8 (0.83) CCR8SIGMAR1KCNH2
SCHEMBL6497669 0.79 CCR8 (1.00) CCR8SIGMAR1KCNH2
SCHEMBL6501162 0.79 CCR8 (0.82) CCR8SIGMAR1KCNH2
SCHEMBL6507686 0.78 CCR8 (0.80) CCR8SIGMAR1

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-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 WO disclosed