SCHEMBL8944697

SCHEMBL8944697

COc1cccc(CN2CCN(C)CC2C2=NCCN2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.49
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
NISCH Q9Y2I1 2/20 0.45
SIGMAR1 Q99720 2/20 0.42
RORC P51449 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
GLA P06280 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39

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
SCHEMBL8944813 0.84 NISCH (0.47) NISCHSIGMAR1
SCHEMBL8944702 0.79 NISCH (0.42) NISCHSIGMAR1
SCHEMBL8944556 0.79 GAA (0.45) ALDH1A1KDM4EGAAKMT2APOLB
SCHEMBL8944530 0.78 ALDH1A1 (0.46) ALDH1A1KDM4ENISCHGAAKMT2A
SCHEMBL8944625 0.78 NISCH (0.41) NISCHSIGMAR1
SCHEMBL8944498 0.77 TAAR1 (0.42) NISCH
SCHEMBL8944628 0.75 ADRA2A (0.41) ALDH1A1NISCHKMT2AMEN1
SCHEMBL8944902 0.74 CYP2A13 (0.39) ALDH1A1KDM4ENISCHPOLB
SCHEMBL8944755 0.74 LMNA (0.40) NISCHKMT2A
SCHEMBL8944681 0.74 MAPK1 (0.43) ALDH1A1KDM4ENISCHRORCKMT2A

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