SCHEMBL9113367

SCHEMBL9113367

[CH2]C=CC1Cc2ccccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
MAOB P27338 7/20 0.40
MAOA P21397 6/20 0.40
AOC2 O75106 5/20 0.40
DAO P14920 1/20 0.40
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NISCH Q9Y2I1 1/20 0.34
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
AR P10275 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL12060988 0.81 HRH3 (0.49) HRH3MAOBMAOAAOC2DAO
SCHEMBL334480 0.81 HRH3 (0.49) HRH3MAOBMAOAAOC2DAO
SCHEMBL30142986 0.81 HRH3 (0.49) HRH3MAOBMAOAAOC2DAO
SCHEMBL21101519 0.77 KDM4E (0.49) HRH3MAOBMAOAAOC2DAO
SCHEMBL28842254 0.77 MAOB (0.49) HRH3MAOBMAOAAOC2DAO
SCHEMBL434337 0.77 MAOA (0.41) HRH3MAOBMAOAAOC2DAO
SCHEMBL451210 0.77 MAOB (0.41) HRH3MAOBMAOAAOC2DAO
SCHEMBL6209606 0.77 MAOB (0.41) HRH3MAOBMAOAAOC2DAO
SCHEMBL10508395 0.73 MAOA (0.42) HRH3MAOBMAOAAOC2DAO
SCHEMBL6808826 0.70 CHRM2 (0.45) HRH3MAOBMAOAAOC2DAO

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed