SCHEMBL4447274

SCHEMBL4447274

CCc1c(Cl)c(-c2ccccn2)nn1CC(=O)N1CCN(c2cc(OC)c(Cl)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.47
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
SCHEMBL3466173 0.91 CCR1 (0.55) CCR1CYP2C19KCNH2
SCHEMBL3463932 0.86 CCR1 (0.53) CCR1CYP2C19KCNH2
SCHEMBL13184226 0.83 CCR1 (0.49) CCR1CYP2C19KCNH2
SCHEMBL3466086 0.81 CCR1 (0.54) CCR1CYP2C19KCNH2
SCHEMBL13163849 0.81 CCR1 (0.54) CCR1CYP2C19KCNH2
SCHEMBL13184229 0.80 CCR1 (0.48) CCR1CYP2C19KCNH2
SCHEMBL3864967 0.79 CCR1 (0.55) CCR1CYP2C19KCNH2
SCHEMBL3864970 0.79 CCR1 (0.55) CCR1CYP2C19KCNH2
SCHEMBL3464621 0.79 CCR1 (0.49) CCR1
SCHEMBL3464619 0.79 CCR1 (0.49) CCR1

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