SCHEMBL8944501

SCHEMBL8944501

CN1CCN(Cc2ccccc2Cl)CC1CCC1=NCCO1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP2A13 Q16696 2/20 0.41
ALDH1A1 P00352 4/20 0.40
SIGMAR1 Q99720 1/20 0.40
PLA2G1B P04054 1/20 0.38
RAB9A P51151 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
KCNH2 Q12809 1/20 0.38
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CXCR4 P61073 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
SCHEMBL8944792 0.81 KDM4E (0.45) KDM4EHTTKMT2ACYP2A13ALDH1A1
SCHEMBL8944513 0.68 SIGMAR1 (0.44) KDM4EHTTKMT2AALDH1A1SIGMAR1
SCHEMBL8944593 0.68 KDM4E (0.40) KDM4EHTTCYP2A13ALDH1A1SIGMAR1
SCHEMBL8944758 0.65 SIGMAR1 (0.47) KMT2AMEN1SIGMAR1
SCHEMBL11360607 0.65 SIGMAR1 (0.85) KDM4EHTTKMT2ACYP2A13ALDH1A1
SCHEMBL1852774 0.64 SIGMAR1 (0.71) KDM4EHTTKMT2ACYP2A13ALDH1A1
SCHEMBL5558545 0.63 SIGMAR1 (0.56) KMT2AMEN1ALDH1A1SIGMAR1
SCHEMBL5558551 0.63 SIGMAR1 (0.56) KMT2AMEN1ALDH1A1SIGMAR1
SCHEMBL23507326 0.62 CXCR4 (0.60) KDM4EHTTKMT2AMEN1CYP2A13
SCHEMBL12993260 0.62 KDM4E (0.68) KDM4EHTTKMT2ACYP2A13ALDH1A1

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