SCHEMBL8944769

SCHEMBL8944769

Clc1ccccc1CN1CCN(c2ccccc2)C(C2=NCCN2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HTT P42858 1/20 0.47
SIGMAR1 Q99720 1/20 0.44
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
PLA2G1B P04054 1/20 0.40
RAB9A P51151 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
DOCK5 Q9H7D0 1/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.39
CXCR4 P61073 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
SCHEMBL8944513 0.85 SIGMAR1 (0.44) ALDH1A1KDM4EHTTSIGMAR1PLA2G1B
SCHEMBL8944554 0.85 SIGMAR1 (0.44) ALDH1A1KDM4EHTTSIGMAR1GAA
SCHEMBL8944703 0.83 SIGMAR1 (0.41) ALDH1A1KDM4EHTTSIGMAR1PLA2G1B
SCHEMBL8944864 0.82 L3MBTL1 (0.42) ALDH1A1KDM4EHTTSIGMAR1PLA2G1B
SCHEMBL8944786 0.80 CXCR4 (0.42) ALDH1A1KDM4EHTTSIGMAR1PLA2G1B
SCHEMBL8944610 0.78 KMT2A (0.39) ALDH1A1KDM4EHTTSIGMAR1PLA2G1B
SCHEMBL8944696 0.77 NISCH (0.41) KDM4EHTTSIGMAR1KMT2ALMNA
SCHEMBL8944755 0.73 LMNA (0.40) KMT2ALMNA
SCHEMBL8944664 0.73 NISCH (0.48) SIGMAR1
SCHEMBL8944673 0.73 LMNA (0.41) KMT2ALMNA

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