SCHEMBL3633474

SCHEMBL3633474

COc1cc(N2CCN(C(C=O)n3cc4c(Cl)nccc4n3)CC2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 18/20 0.40
ALDH1A1 P00352 1/20 0.39
BRD4 O60885 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 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
SCHEMBL3631827 0.91 CCR1 (0.39) CCR1ALDH1A1BRD4CYP2C19KCNH2
SCHEMBL4692528 0.85 CCR1 (0.40) CCR1CYP2C19KCNH2
SCHEMBL3636906 0.84 CCR1 (0.42) CCR1ALDH1A1
SCHEMBL3637478 0.84 CCR1 (0.39) CCR1BRD4CYP2C19KCNH2
SCHEMBL4317440 0.82 CCR1 (0.42) CCR1ALDH1A1BRD4CYP2C19KCNH2
SCHEMBL3639609 0.82 CCR1 (0.40) CCR1ALDH1A1BRD4CYP2C19KCNH2
SCHEMBL4694944 0.80 CCR1 (0.41) CCR1BRD4
SCHEMBL4016485 0.79 CCR1 (0.60) CCR1CYP2C19KCNH2
SCHEMBL3637368 0.78 CCR1 (0.41) CCR1CYP2C19KCNH2
SCHEMBL3635666 0.78 CCR1 (0.50) CCR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155203-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE ChemoCentryx Inc (US) 2010-02-24 EP disclosed
WO-2008147822-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2008-12-04 WO disclosed
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