SCHEMBL4016533

SCHEMBL4016533

Cc1cccc(N2CCN(C(C=O)n3nc(C(F)(F)F)c(Cl)c3C)CC2)c1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.39
PKM P14618 2/20 0.39
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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 0.92 CCR1 (0.40) CCR1LMNATSHRMAPK1HTT
SCHEMBL4018084 0.87 LMNA (0.42) CCR1ALDH1A1MAPTLMNAMEN1
SCHEMBL6169622 0.84 GAA (0.42) CCR1ALDH1A1NPSR1MAPTLMNA
SCHEMBL4016493 0.84 CCR1 (0.39) CCR1ALDH1A1MAPTLMNAMEN1
SCHEMBL4014637 0.84 CCR1 (0.41) CCR1
SCHEMBL4019904 0.83 CCR1 (0.53) CCR1ALDH1A1MAPTLMNAHTT
SCHEMBL27642398 0.82 CCR1 (0.46) CCR1PKMALDH1A1NPSR1MAPT
SCHEMBL4018625 0.81 CCR1 (0.53) CCR1MEN1KMT2AATMHTT
SCHEMBL4014891 0.81 CCR1 (0.37) CCR1LMNAMEN1KMT2A
SCHEMBL4016510 0.81 CCR1 (0.43) CCR1MAPT

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