SCHEMBL4692528

SCHEMBL4692528

COc1cc(N2CCN(C(C=O)n3cc4c(Cl)ncnc4n3)CC2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 19/20 0.40
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL3637478 0.86 CCR1 (0.39) CCR1CYP2C19KCNH2
SCHEMBL3633474 0.85 CCR1 (0.40) CCR1CYP2C19KCNH2
SCHEMBL4694944 0.82 CCR1 (0.41) CCR1
SCHEMBL3637368 0.81 CCR1 (0.41) CCR1CYP2C19KCNH2
SCHEMBL3632624 0.81 CCR1 (0.43) CCR1CYP2C19KCNH2
SCHEMBL3639158 0.81 RAB9A (0.42) CCR1HTR1AHTR7
SCHEMBL3631827 0.80 CCR1 (0.39) CCR1CYP2C19KCNH2
SCHEMBL3636906 0.79 CCR1 (0.42) CCR1
SCHEMBL4016485 0.79 CCR1 (0.60) CCR1CYP2C19KCNH2
SCHEMBL4317440 0.79 CCR1 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1906965-A2 AZAINDAZOLE COMPOUNDS AND METHODS OF USE ChemoCentryx Inc (US) 2008-04-09 EP disclosed
WO-2007002293-A2 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-01-04 WO disclosed