SCHEMBL7300837

SCHEMBL7300837

Cc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.63
MAOB P27338 9/20 0.63
MAOA P21397 2/20 0.60

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
SCHEMBL7294468 0.90 ACHE (0.63) ACHEMAOBMAOA
SCHEMBL7312144 0.86 MAOB (0.47) ACHEMAOBMAOA
SCHEMBL7302703 0.80 ACHE (0.60) ACHEMAOBMAOA
SCHEMBL9135488 0.79 MAOB (0.43) ACHEMAOBMAOA
SCHEMBL7301269 0.79 ACHE (0.78) ACHEMAOBMAOA
SCHEMBL7302123 0.79 MAOB (0.77) ACHEMAOBMAOA
SCHEMBL26743702 0.78 HPGD (0.78) ACHEMAOBMAOA
SCHEMBL7432074 0.77 ACHE (1.00) ACHEMAOBMAOA
SCHEMBL5618607 0.77 MAOB (1.00) ACHEMAOBMAOA
SCHEMBL7292786 0.77 MAOB (0.59) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2149579-A None JP disclosed
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
JP-H02149579-A HETERO RING SUBSTITUTED ALKOXYCOUMARIN, PREPARATION THEREOF AND DRUG CONTAINING SAME BASF AG 1990-06-08 JP disclosed
EP-0363796-A1 Heterocyclically substituted alkoxycoumarines, method for their preparation and therapeutical agents containing same BASF Aktiengesellschaft (DE) 1990-04-18 EP disclosed