SCHEMBL4016092

SCHEMBL4016092

COc1cc(N2CCN(C(C=O)n3nc(-c4ccccn4)c(Cl)c3C)[C@@H](C)C2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 18/20 0.42
DPP4 P27487 1/20 0.36
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL4323120 0.92 CCR1 (0.38) CCR1
SCHEMBL4566368 0.92 CCR1 (0.42) CCR1CYP2C19KCNH2
SCHEMBL4018704 0.91 CCR1 (0.43) CCR1CYP2C19KCNH2
SCHEMBL4314922 0.90 CCR1 (0.42) CCR1CYP2C19KCNH2
SCHEMBL4016624 0.90 CCR1 (0.43) CCR1CYP2C19KCNH2
SCHEMBL4314392 0.89 CCR1 (0.42) CCR1CYP2C19KCNH2
SCHEMBL4014907 0.88 CCR1 (0.45) CCR1CYP2C19KCNH2
SCHEMBL4020391 0.85 CCR1 (0.42) CCR1CYP2C19KCNH2
SCHEMBL4564568 0.85 CCR1 (0.42) CCR1CYP2C19KCNH2
SCHEMBL4014780 0.85 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 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