SCHEMBL4018084

SCHEMBL4018084

Cc1c(Cl)c(C(F)(F)F)nn1C(C=O)N1CCN(c2ccccc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
CCR1 P32246 7/20 0.40
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
HSD11B1 P28845 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4019925 0.91 CCR1 (0.40) LMNACCR1HSD11B1
SCHEMBL6169622 0.87 GAA (0.42) LMNACCR1ALDH1A1SMN1; SMN2GAA
SCHEMBL4016533 0.87 CCR1 (0.39) LMNACCR1ALDH1A1MEN1KMT2A
SCHEMBL4019904 0.86 CCR1 (0.53) LMNACCR1ALDH1A1MAPT
SCHEMBL4014637 0.84 CCR1 (0.41) CCR1
SCHEMBL4016493 0.83 CCR1 (0.39) LMNACCR1POLBALDH1A1MEN1
SCHEMBL4019875 0.83 CCR1 (0.45) CCR1
SCHEMBL4016957 0.83 KDM4E (0.44) LMNACCR1POLBKDM4EALDH1A1
SCHEMBL4014891 0.82 CCR1 (0.37) LMNACCR1POLBKDM4EMEN1
SCHEMBL4018625 0.82 CCR1 (0.53) CCR1MEN1KMT2A

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