SCHEMBL7294583

SCHEMBL7294583

Cc1c(C)c2ccc(OCc3csc(Br)c3)cc2oc1=O

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.66
MAOB P27338 13/20 0.66
MAOA P21397 4/20 0.63

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
SCHEMBL7302273 0.86 ACHE (0.70) ACHEMAOBMAOA
SCHEMBL7297436 0.83 ACHE (0.62) ACHEMAOBMAOA
SCHEMBL7436425 0.83 MAOB (0.82) ACHEMAOBMAOA
SCHEMBL7295083 0.81 ACHE (0.69) ACHEMAOBMAOA
SCHEMBL7295186 0.81 ACHE (0.62) ACHEMAOBMAOA
SCHEMBL7302603 0.80 ACHE (0.63) ACHEMAOBMAOA
SCHEMBL5618607 0.80 MAOB (1.00) ACHEMAOBMAOA
SCHEMBL7432074 0.80 ACHE (1.00) ACHEMAOBMAOA
SCHEMBL7301269 0.79 ACHE (0.78) ACHEMAOBMAOA
SCHEMBL5617511 0.79 MAOB (0.82) ACHEMAOBMAOA

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