SCHEMBL8944554

SCHEMBL8944554

Clc1ccccc1CN1CCN(Cc2ccccc2Cl)C(C2=NCCN2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
PLA2G1B P04054 1/20 0.42
RAB9A P51151 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
CXCR4 P61073 1/20 0.40
CYP2A13 Q16696 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ROCK2 O75116 1/20 0.39
CCR2 P41597 1/20 0.39
ROCK1 Q13464 1/20 0.39
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL8944703 0.92 SIGMAR1 (0.41) SIGMAR1KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL8944610 0.92 KMT2A (0.39) SIGMAR1KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL8944696 0.90 NISCH (0.41) SIGMAR1KDM4EHTTKMT2ALMNA
SCHEMBL8944513 0.88 SIGMAR1 (0.44) SIGMAR1KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL8944755 0.87 LMNA (0.40) KMT2ALMNA
SCHEMBL8944853 0.86 SIGMAR1 (0.44) SIGMAR1KDM4EALDH1A1CYP2A13MAPT
SCHEMBL8944769 0.85 ALDH1A1 (0.47) SIGMAR1KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL8944864 0.84 L3MBTL1 (0.42) SIGMAR1KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL8944819 0.84 LMNA (0.38) KDM4EHTTKMT2ALMNA
SCHEMBL8944664 0.83 NISCH (0.48) SIGMAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638568-B1 Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them ADIR (FR) 1996-10-09 EP disclosed
US-5500426-A ADMINISTERED TO IMPROVE GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-03-19 US disclosed
US-5492912-A IMPROVES GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-02-20 US disclosed
EP-0638568-A1 Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-02-15 EP disclosed