SCHEMBL8944902

SCHEMBL8944902

CN1CCN(Cc2cccc(Cl)c2Cl)C(C2=NCCN2)C1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
NISCH Q9Y2I1 1/20 0.36

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
SCHEMBL8944755 0.91 LMNA (0.40) NISCH
SCHEMBL8944498 0.88 TAAR1 (0.42) NISCH
SCHEMBL8944628 0.83 ADRA2A (0.41) ALDH1A1NISCH
SCHEMBL2387265 0.83 KDM4E (0.44) CYP2A13KDM4EALDH1A1POLBNISCH
SCHEMBL8944681 0.82 MAPK1 (0.43) KDM4EALDH1A1POLBNISCH
SCHEMBL8944813 0.82 NISCH (0.47) NISCH
SCHEMBL8944702 0.81 NISCH (0.42) NISCH
SCHEMBL8944556 0.80 GAA (0.45) KDM4EALDH1A1POLB
SCHEMBL8944530 0.80 ALDH1A1 (0.46) KDM4EALDH1A1NISCH
SCHEMBL8944841 0.80 KDM4E (0.45) KDM4EALDH1A1POLB

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