SCHEMBL4019925

SCHEMBL4019925

Cc1ccccc1N1CCN(C(C=O)n2nc(C(F)(F)F)c(Cl)c2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 14/20 0.40
LMNA P02545 2/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
HSD11B1 P28845 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34
ABCB1 P08183 2/20 0.34
LPAR2 Q9HBW0 1/20 0.34

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
SCHEMBL4016533 0.92 CCR1 (0.39) CCR1LMNATSHRMAPK1HTT
SCHEMBL4018084 0.91 LMNA (0.42) CCR1LMNAHSD11B1
SCHEMBL6169622 0.88 GAA (0.42) CCR1LMNATSHRMAPK1HTT
SCHEMBL4016493 0.88 CCR1 (0.39) CCR1LMNATSHRHTTCYP2C19
SCHEMBL4019904 0.87 CCR1 (0.53) CCR1LMNAHTTCYP2C19KCNH2
SCHEMBL4014637 0.85 CCR1 (0.41) CCR1CYP2C19KCNH2
SCHEMBL4016510 0.84 CCR1 (0.43) CCR1CYP2C19KCNH2
SCHEMBL4016957 0.84 KDM4E (0.44) CCR1LMNATSHRHTT
SCHEMBL4014891 0.83 CCR1 (0.37) CCR1LMNA
SCHEMBL4018625 0.83 CCR1 (0.53) CCR1HTTCYP2C19KCNH2

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