SCHEMBL14713141

SCHEMBL14713141

COc1cc(N2CCN(CC(=O)n3ncc4cc[n+]([O-])cc43)CC2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.49
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL1639602 0.84 CCR1 (0.66) CCR1CYP2C19KCNH2
SCHEMBL3638408 0.77 CCR1 (0.40) CCR1
SCHEMBL3057651 0.71 CCR1 (0.64) CCR1CYP2C19KCNH2
SCHEMBL3468992 0.71 CCR1 (0.72) CCR1CYP2C19KCNH2
SCHEMBL1637558 0.71 CCR1 (0.66) CCR1CYP2C19KCNH2
SCHEMBL1638427 0.70 CCR1 (0.70) CCR1CYP2C19KCNH2
SCHEMBL3780578 0.69 CCR1 (0.61) CCR1CYP2C19KCNH2
SCHEMBL3080228 0.69 CCR1 (0.63) CCR1CYP2C19KCNH2
SCHEMBL3063748 0.69 CCR1 (0.63) CCR1CYP2C19KCNH2
SCHEMBL3772008 0.68 CCR1 (0.59) 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
US-8383630-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2013-02-26 US claimed