SCHEMBL5360528

SCHEMBL5360528

Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC2CN(Cc3ccc(S(C)(=O)=O)cc3S(C)(=O)=O)CC2C1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.58
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 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
SCHEMBL5360532 0.83 CCR1 (0.54) CCR1CYP2C19KCNH2
SCHEMBL4819061 0.83 CCR1 (0.55) CCR1CYP2C19KCNH2
SCHEMBL4816168 0.83 CCR1 (0.55) CCR1CYP2C19KCNH2
SCHEMBL4818141 0.79 CCR1 (0.62) CCR1CYP2C19KCNH2
SCHEMBL4819401 0.78 CCR1 (0.62) CCR1CYP2C19KCNH2
SCHEMBL4817321 0.75 CCR1 (0.64) CCR1CYP2C19KCNH2
SCHEMBL13024407 0.73 CCR1 (1.00) CCR1CYP2C19KCNH2
SCHEMBL4824445 0.73 CCR1 (0.64) CCR1CYP2C19KCNH2
SCHEMBL4815084 0.73 CCR1 (0.53) CCR1CYP2C19KCNH2
SCHEMBL16200334 0.73 CCR1 (0.53) CCR1CYP2C19KCNH2

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-2007027734-A2 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX, INC. (US) 2007-03-08 WO disclosed