SCHEMBL4565941

SCHEMBL4565941

COc1cc(N2CCN(C(C=O)n3nc(C(F)(F)F)c(Cl)c3C)CC2)c(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.55
CYP2C19 P33261 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL4304679 0.93 CCR1 (0.48) CCR1CYP2C19KCNH2
SCHEMBL4018792 0.93 CCR1 (0.47) CCR1CYP2C19KCNH2
SCHEMBL4017802 0.92 CCR1 (0.49) CCR1CYP2C19KCNH2
SCHEMBL4331728 0.92 CCR1 (0.47) CCR1CYP2C19KCNH2
SCHEMBL4020360 0.91 CCR1 (0.47) CCR1CYP2C19KCNH2
SCHEMBL4019367 0.89 CCR1 (0.49) CCR1CYP2C19KCNH2
SCHEMBL4014852 0.89 CCR1 (0.52) CCR1CYP2C19KCNH2
SCHEMBL4308192 0.89 CCR1 (0.46) CCR1CYP2C19KCNH2
SCHEMBL4301954 0.88 CCR1 (0.46) CCR1CYP2C19KCNH2
SCHEMBL4017080 0.88 CCR1 (0.48) 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