SCHEMBL8944841

SCHEMBL8944841

CN1CCN(Cc2ccccc2C(F)(F)F)C(C2=NCCN2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 3/20 0.40
HTT P42858 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 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
SCHEMBL8944681 0.86 MAPK1 (0.43) KDM4EALDH1A1POLBKMT2AMAPT
SCHEMBL8944628 0.84 ADRA2A (0.41) ALDH1A1KMT2AMAPTMEN1
SCHEMBL8944755 0.84 LMNA (0.40) KMT2A
SCHEMBL8944556 0.82 GAA (0.45) KDM4EALDH1A1POLBKMT2AMAPK1
SCHEMBL8944813 0.81 NISCH (0.47)
SCHEMBL8944902 0.80 CYP2A13 (0.39) KDM4EALDH1A1POLB
SCHEMBL9016174 0.79 KMT2A (0.45) KDM4EALDH1A1KMT2AHTTHTR2A
SCHEMBL8944530 0.77 ALDH1A1 (0.46) KDM4EALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL8944498 0.76 TAAR1 (0.42)
SCHEMBL2387265 0.75 KDM4E (0.44) 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 3 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-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