SCHEMBL8944703

SCHEMBL8944703

CCN1CCN(Cc2ccccc2Cl)CC1C1=NCCN1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 4/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 4/20 0.40
PLA2G1B P04054 1/20 0.40
RAB9A P51151 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 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
SCHEMBL8944554 0.92 SIGMAR1 (0.44) SIGMAR1KDM4EHTTALDH1A1PLA2G1B
SCHEMBL8944610 0.91 KMT2A (0.39) SIGMAR1KDM4EHTTALDH1A1PLA2G1B
SCHEMBL8944513 0.88 SIGMAR1 (0.44) SIGMAR1KDM4EHTTALDH1A1PLA2G1B
SCHEMBL8944696 0.87 NISCH (0.41) SIGMAR1KDM4EHTTLMNAKMT2A
SCHEMBL8944864 0.84 L3MBTL1 (0.42) SIGMAR1KDM4EHTTALDH1A1PLA2G1B
SCHEMBL8944769 0.83 ALDH1A1 (0.47) SIGMAR1KDM4EHTTALDH1A1PLA2G1B
SCHEMBL8944755 0.82 LMNA (0.40) LMNAKMT2A
SCHEMBL8944786 0.80 CXCR4 (0.42) SIGMAR1KDM4EHTTALDH1A1PLA2G1B
SCHEMBL8944819 0.80 LMNA (0.38) KDM4EHTTLMNAKMT2A
SCHEMBL8944853 0.79 SIGMAR1 (0.44) SIGMAR1KDM4EALDH1A1

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