SCHEMBL4014637

SCHEMBL4014637

Cc1c(Cl)c(C(F)(F)F)nn1C(C=O)N1CCN(c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 18/20 0.41
OPRM1 P35372 1/20 0.39
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
FPR2 P25090 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35

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
SCHEMBL4018406 0.90 CCR1 (0.42) CCR1CYP2C19KCNH2
SCHEMBL4018625 0.87 CCR1 (0.53) CCR1CYP2C19KCNH2
SCHEMBL4016493 0.86 CCR1 (0.39) CCR1CYP2C19KCNH2
SCHEMBL4019925 0.85 CCR1 (0.40) CCR1CYP2C19KCNH2
SCHEMBL4018084 0.84 LMNA (0.42) CCR1
SCHEMBL4565941 0.84 CCR1 (0.55) CCR1CYP2C19KCNH2
SCHEMBL4019875 0.84 CCR1 (0.45) CCR1CYP2C19KCNH2
SCHEMBL4016533 0.84 CCR1 (0.39) CCR1
SCHEMBL4013644 0.83 CCR1 (0.48) CCR1CYP2C19KCNH2
SCHEMBL4316179 0.83 CCR1 (0.43) 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