SCHEMBL4309602

SCHEMBL4309602

COc1cc(OC)nc(N2CCN(C(C=O)n3nc(C(F)(F)F)c(Cl)c3C)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.39
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL4017114 0.84 CCR1 (0.39) CCR1CYP2C19KCNH2
SCHEMBL4014891 0.83 CCR1 (0.37) CCR1
SCHEMBL4018406 0.82 CCR1 (0.42) CCR1CYP2C19KCNH2
SCHEMBL4565941 0.82 CCR1 (0.55) CCR1CYP2C19KCNH2
SCHEMBL4020846 0.81 CCR1 (0.56) CCR1CYP2C19KCNH2
SCHEMBL4014637 0.81 CCR1 (0.41) CCR1CYP2C19KCNH2
SCHEMBL4015802 0.81 CCR1 (0.60) CCR1CYP2C19KCNH2
SCHEMBL4304679 0.81 CCR1 (0.48) CCR1CYP2C19KCNH2
SCHEMBL4316179 0.81 CCR1 (0.43) CCR1CYP2C19KCNH2
SCHEMBL4013388 0.80 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 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