SCHEMBL4016957

SCHEMBL4016957

Cc1c(Cl)c(C(F)(F)F)nn1C(C=O)N1CCN(c2ccccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 2/20 0.39
CCR1 P32246 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL4014891 0.88 CCR1 (0.37) KDM4ELMNAMEN1POLBKMT2A
SCHEMBL4019904 0.85 CCR1 (0.53) MAPTLMNAALDH1A1CCR1HTT
SCHEMBL6170444 0.84 CCR1 (0.42) CCR1
SCHEMBL4019925 0.84 CCR1 (0.40) LMNACCR1HTTTSHR
SCHEMBL4314605 0.83 HRH3 (0.47) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL4012574 0.83 OGA (0.36) CCR1
SCHEMBL4018084 0.83 LMNA (0.42) KDM4EMAPTLMNAMEN1POLB
SCHEMBL4017114 0.83 CCR1 (0.39) CCR1
SCHEMBL4020337 0.82 ALDH1A1 (0.43) MAPTLMNAALDH1A1GAACCR1
SCHEMBL4018625 0.81 CCR1 (0.53) MEN1KMT2ACCR1HTT

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