SCHEMBL3665170

SCHEMBL3665170

COc1cc(N2CCN(C(=O)Cn3cccn3)CC2)ccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.66
CYP2C19 P33261 1/20 0.57
KCNH2 Q12809 1/20 0.57

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
SCHEMBL3463924 0.82 CCR1 (0.75) CCR1CYP2C19KCNH2
SCHEMBL12765632 0.82 CCR1 (0.65) CCR1CYP2C19KCNH2
SCHEMBL3465885 0.81 CCR1 (0.71) CCR1CYP2C19KCNH2
SCHEMBL1639706 0.81 CCR1 (0.66) CCR1CYP2C19KCNH2
SCHEMBL3468971 0.80 CCR1 (0.68) CCR1CYP2C19KCNH2
SCHEMBL1637609 0.80 CCR1 (0.65) CCR1CYP2C19KCNH2
SCHEMBL1639577 0.80 CCR1 (0.69) CCR1CYP2C19KCNH2
SCHEMBL3879906 0.80 CCR1 (0.58) CCR1CYP2C19KCNH2
SCHEMBL3465403 0.79 CCR1 (1.00) CCR1CYP2C19KCNH2
SCHEMBL3465690 0.79 CCR1 (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155712-A1 3-(IMIDAZOLYL)-PYRAZOLOÝ3,4-B¨PYRIDINES ChemoCentryx Inc (US) 2010-02-24 EP disclosed
EP-2155203-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE ChemoCentryx Inc (US) 2010-02-24 EP disclosed
WO-2008147815-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-B]PYRIDINES CHEMOCENTRYX, INC. (US) 2008-12-04 WO disclosed
WO-2008147822-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2008-12-04 WO disclosed