SCHEMBL7294371

SCHEMBL7294371

Cc1c(C)c2ccc(OCn3cncn3)cc2oc1=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.56
CYP19A1 P11511 2/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
RAB9A P51151 1/20 0.55
ACHE P22303 9/20 0.54
MAOA P21397 2/20 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
SCHEMBL7303584 0.78 KDM4E (0.55) MAOBKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL7328091 0.76 ACHE (0.56) MAOBKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL26743702 0.76 HPGD (0.78) MAOBKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL28023132 0.74 NPC1 (0.64) MAOBCYP19A1KDM4EALDH1A1HPGD
SCHEMBL28022530 0.72 CYP19A1 (0.62) MAOBCYP19A1KDM4EALDH1A1HPGD
SCHEMBL7301269 0.72 ACHE (0.78) MAOBACHEMAOA
Hydrochloric Acid SCHEMBL7302156 0.71 MAOB (0.55) MAOBACHEMAOA
SCHEMBL28463972 0.71 KDM4E (0.69) MAOBKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL11099484 0.71 ACHE (0.66) MAOBKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL22733326 0.71 KDM4E (0.77) MAOBKDM4EALDH1A1CYP1A2CYP2C9

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