SCHEMBL7301156

SCHEMBL7301156

CCOc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)s1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.70
ACHE P22303 9/20 0.56
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
MAOA P21397 2/20 0.54

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
SCHEMBL7302123 0.87 MAOB (0.77) MAOBACHEMAOA
Atibeprone SCHEMBL2111018 0.82 MAOB (1.00) MAOBACHEMAOA
SCHEMBL5617596 0.81 MAOB (0.67) MAOBACHEKDM4EMAOA
SCHEMBL26743702 0.80 HPGD (0.78) MAOBACHEKDM4EALDH1A1GAA
SCHEMBL7291407 0.80 MAOB (0.64) MAOBACHEKDM4EALDH1A1HPGD
SCHEMBL7294868 0.80 MAOB (0.64) MAOBACHEKDM4EALDH1A1HPGD
SCHEMBL7293827 0.79 MAOB (0.65) MAOBACHEKDM4EALDH1A1GAA
SCHEMBL7294468 0.76 ACHE (0.63) MAOBACHEMAOA
SCHEMBL7300706 0.76 ACHE (0.66) MAOBACHEKDM4EALDH1A1HPGD
SCHEMBL7296443 0.74 ALDH1A1 (0.64) MAOBKDM4EALDH1A1GAAHPGD

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-0363796-B1 HETEROCYCLICALLY SUBSTITUTED ALKOXYCOUMARINES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL AGENTS CONTAINING SAME BASF Aktiengesellschaft (DE) 1993-08-11 EP disclosed
US-5227392-A Monoamine oxidase inhibitors BASF AKTIENGESELLSCHAFT (DE) 1993-07-13 US disclosed
US-5073563-A Enzyme inhibitors, CNS BASF AKTIENGESELLSCHAFT (DE) 1991-12-17 US disclosed
EP-0363796-A1 Heterocyclically substituted alkoxycoumarines, method for their preparation and therapeutical agents containing same BASF Aktiengesellschaft (DE) 1990-04-18 EP disclosed