SCHEMBL4017397

SCHEMBL4017397

COc1cc(N2CCN(C(C=O)n3nc(-c4cccc(C)n4)c(Cl)c3C)CC2)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.45
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL4015893 0.92 CCR1 (0.42) CCR1CYP2C19KCNH2
SCHEMBL4314392 0.88 CCR1 (0.42) CCR1CYP2C19KCNH2
SCHEMBL4014907 0.88 CCR1 (0.45) CCR1CYP2C19KCNH2
SCHEMBL4018857 0.86 CCR1 (0.47) CCR1CYP2C19KCNH2
SCHEMBL4555895 0.85 CCR1 (0.44) CCR1CYP2C19KCNH2
SCHEMBL4022667 0.84 CCR1 (0.44) CCR1CYP2C19KCNH2
SCHEMBL4308366 0.84 CCR1 (0.44) CCR1CYP2C19KCNH2
SCHEMBL4017338 0.83 CCR1 (0.46) CCR1CYP2C19KCNH2
SCHEMBL4016331 0.83 CCR1 (0.44) CCR1CYP2C19KCNH2
SCHEMBL4021722 0.82 CCR1 (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed