SCHEMBL4019936

SCHEMBL4019936

COc1ccc(-c2nn(C(C=O)N3CCN(c4ccc(Cl)c(OC)c4)CC3)c(C(F)(F)F)c2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 19/20 0.47
CYP2C19 P33261 1/20 0.43
KCNH2 Q12809 1/20 0.43
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4017792 0.88 CCR1 (0.45) CCR1CYP2C19KCNH2
SCHEMBL4020840 0.86 CCR1 (0.46) CCR1CYP2C19KCNH2
SCHEMBL27786518 0.85 CCR1 (0.50) CCR1CYP2C19KCNH2
SCHEMBL4556935 0.85 CCR1 (0.43) CCR1CYP2C19KCNH2
SCHEMBL4013693 0.84 CCR1 (0.45) CCR1CYP2C19KCNH2
SCHEMBL3854887 0.84 CCR1 (0.52) CCR1CYP2C19KCNH2
SCHEMBL4019530 0.84 CCR1 (0.47) CCR1CYP2C19KCNH2
SCHEMBL4020875 0.83 CCR1 (0.48) CCR1CYP2C19KCNH2
SCHEMBL4021722 0.82 CCR1 (0.45) CCR1CYP2C19KCNH2
SCHEMBL4014926 0.81 CCR1 (0.45) 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