SCHEMBL7301127

SCHEMBL7301127

Cc1c(C)c2ccc(OCc3nc(C4CC4)no3)cc2oc1=O

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.54
MAOB P27338 9/20 0.54
MAOA P21397 3/20 0.52

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
SCHEMBL7302703 0.84 ACHE (0.60) ACHEMAOBMAOA
SCHEMBL7295471 0.81 ACHE (0.56) ACHEMAOBMAOA
SCHEMBL7303013 0.81 MAOB (0.58) ACHEMAOBMAOA
SCHEMBL7303830 0.80 ACHE (0.55) ACHEMAOBMAOA
SCHEMBL5617681 0.76 MAOB (0.53) ACHEMAOBMAOA
SCHEMBL5618346 0.76 MAOB (0.53) ACHEMAOBMAOA
SCHEMBL7295636 0.76 MAOB (0.53) ACHEMAOBMAOA
SCHEMBL5618127 0.75 MAOB (0.52) ACHEMAOBMAOA
SCHEMBL7300837 0.75 ACHE (0.63) ACHEMAOBMAOA
SCHEMBL7294468 0.75 ACHE (0.63) 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