SCHEMBL4014768

SCHEMBL4014768

COc1cc(N2CCN(C(C=O)n3nc(N)c(Cl)c3C)CC2)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.58
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL4451438 0.88 CCR1 (0.61) CCR1CYP2C19KCNH2
SCHEMBL4013588 0.88 CCR1 (0.49) CCR1CYP2C19KCNH2
SCHEMBL4014714 0.88 CCR1 (0.58) CCR1CYP2C19KCNH2
SCHEMBL4311232 0.86 CCR1 (0.61) CCR1CYP2C19KCNH2
SCHEMBL4015032 0.85 CCR1 (0.60) CCR1CYP2C19KCNH2
SCHEMBL4565786 0.85 CCR1 (0.60) CCR1CYP2C19KCNH2
SCHEMBL4015802 0.85 CCR1 (0.60) CCR1CYP2C19KCNH2
SCHEMBL4014705 0.85 CCR1 (0.52) CCR1CYP2C19KCNH2
SCHEMBL4021722 0.85 CCR1 (0.45) CCR1CYP2C19KCNH2
SCHEMBL4018857 0.85 CCR1 (0.47) 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 5 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
EP-1531822-A1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS Chemocentryx, Inc. (US) 2005-05-25 EP disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 WO disclosed