SCHEMBL8944786

SCHEMBL8944786

Clc1ccccc1CN1CCN(C2CCCCC2)C(C2=NCCN2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
ROCK2 O75116 2/20 0.38
CCR2 P41597 2/20 0.38
ROCK1 Q13464 2/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 2/20 0.38
BRS3 P32247 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PLA2G1B P04054 1/20 0.38
RAB9A P51151 1/20 0.38
ATG4B Q9Y4P1 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 0.83 SIGMAR1 (0.44) CXCR4ALDH1A1HTTSIGMAR1KDM4E
SCHEMBL8944554 0.83 SIGMAR1 (0.44) CXCR4ALDH1A1HTTSIGMAR1ROCK2
SCHEMBL8944769 0.80 ALDH1A1 (0.47) CXCR4ALDH1A1HTTSIGMAR1KDM4E
SCHEMBL8944703 0.80 SIGMAR1 (0.41) CXCR4ALDH1A1HTTSIGMAR1KDM4E
SCHEMBL8944864 0.79 L3MBTL1 (0.42) ALDH1A1HTTSIGMAR1MAPK1KDM4E
SCHEMBL8944610 0.76 KMT2A (0.39) ALDH1A1HTTSIGMAR1KDM4EKMT2A
SCHEMBL8944696 0.74 NISCH (0.41) HTTSIGMAR1KDM4EKMT2A
SCHEMBL8944755 0.71 LMNA (0.40) KMT2A
SCHEMBL8944819 0.71 LMNA (0.38) HTTKDM4EKMT2A
SCHEMBL8944673 0.70 LMNA (0.41) KMT2A

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