SCHEMBL9114041

SCHEMBL9114041

C=CC(C)[CH]c1cccc2occc12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
FTO Q9C0B1 1/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNA3 P22001 1/20 0.31

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
SCHEMBL28300613 0.77 MAOA (0.41) MAOAMAOBFTOSLC6A2SLC6A4
SCHEMBL5546709 0.73 MAOA (0.41) MAOAMAOBFTOSLC6A2SLC6A4
SCHEMBL29952108 0.70 PTPN1 (0.47) MAOAMAOBFTOKCNA3
SCHEMBL452370 0.70 MAOA (0.41) MAOAMAOBFTOSLC6A2SLC6A4
SCHEMBL3800012 0.70 PTPN1 (0.47) MAOAMAOBFTOKCNA3
SCHEMBL9113697 0.68 ADRA2A (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL827076 0.67 GABRA1 (0.43) MAOAMAOBFTOSLC6A2SLC6A4
SCHEMBL28876423 0.67 MAOA (0.39) MAOAMAOBFTOSLC6A2SLC6A4
SCHEMBL9111374 0.67 KCNA3 (0.36) MAOAMAOBFTOSLC6A2SLC6A4
SCHEMBL17873694 0.66 KDM4E (0.39) MAOAMAOBFTOKCNA3

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