SCHEMBL8944792

SCHEMBL8944792

CN1CCN(Cc2ccccc2Cl)CC1C1=NCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
HTT P42858 2/20 0.45
CYP2A13 Q16696 2/20 0.45
ALDH1A1 P00352 6/20 0.44
PLA2G1B P04054 1/20 0.44
RAB9A P51151 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.40
KMT2A Q03164 1/20 0.40
CXCR4 P61073 1/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNH2 Q12809 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
SCHEMBL8944501 0.81 KDM4E (0.42) KDM4EHTTCYP2A13ALDH1A1PLA2G1B
SCHEMBL8944593 0.80 KDM4E (0.40) KDM4EHTTCYP2A13ALDH1A1PLA2G1B
SCHEMBL8944513 0.78 SIGMAR1 (0.44) KDM4EHTTALDH1A1PLA2G1BRAB9A
SCHEMBL11360607 0.68 SIGMAR1 (0.85) KDM4EHTTCYP2A13ALDH1A1PLA2G1B
SCHEMBL1852774 0.67 SIGMAR1 (0.71) KDM4EHTTCYP2A13ALDH1A1PLA2G1B
SCHEMBL8944554 0.67 SIGMAR1 (0.44) KDM4EHTTCYP2A13ALDH1A1PLA2G1B
SCHEMBL8944864 0.66 L3MBTL1 (0.42) KDM4EHTTALDH1A1PLA2G1BRAB9A
SCHEMBL2386441 0.65 KDM4E (0.47) KDM4ECYP2A13ALDH1A1SIGMAR1KMT2A
SCHEMBL23507326 0.65 CXCR4 (0.60) KDM4EHTTCYP2A13ALDH1A1PLA2G1B
SCHEMBL18360639 0.65 CXCR4 (0.60) KDM4EHTTCYP2A13ALDH1A1PLA2G1B

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 7 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 claimed
US-5492912-A IMPROVES GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-02-20 US claimed
EP-0638568-A1 Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-02-15 EP claimed
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