SCHEMBL8944853

SCHEMBL8944853

Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3Cl)C(C3=NCCN3)C2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP2A13 Q16696 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
NISCH Q9Y2I1 1/20 0.39
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR1A P08908 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
MAPT P10636 1/20 0.37
PDE2A O00408 1/20 0.37
DRD4 P21917 1/20 0.36
CXCR3 P49682 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
SCHEMBL2386441 0.89 KDM4E (0.47) SIGMAR1KDM4ETDP1CYP2A13ALDH1A1
SCHEMBL2387265 0.88 KDM4E (0.44) SIGMAR1KDM4ETDP1CYP2A13ALDH1A1
SCHEMBL8944554 0.86 SIGMAR1 (0.44) SIGMAR1KDM4ECYP2A13ALDH1A1MAPT
SCHEMBL8944590 0.82 KDM4E (0.45) SIGMAR1KDM4ETDP1CYP2A13ALDH1A1
SCHEMBL8944610 0.79 KMT2A (0.39) SIGMAR1KDM4EALDH1A1
SCHEMBL8944703 0.79 SIGMAR1 (0.41) SIGMAR1KDM4EALDH1A1
SCHEMBL8944696 0.78 NISCH (0.41) SIGMAR1KDM4ENISCH
SCHEMBL8944664 0.76 NISCH (0.48) SIGMAR1NISCH
SCHEMBL8944513 0.75 SIGMAR1 (0.44) SIGMAR1KDM4EALDH1A1
SCHEMBL8944755 0.74 LMNA (0.40) NISCH

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