SCHEMBL6987631

SCHEMBL6987631

NCCOc1noc2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
EPHX2 P34913 1/20 0.37
HTR1B P28222 1/20 0.37
KDM4E B2RXH2 3/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CYP17A1 P05093 2/20 0.34
PRKCH P24723 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
SYK P43405 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LTA4H P09960 2/20 0.32
PLA2G2A P14555 1/20 0.32
SCN5A Q14524 1/20 0.32
MAPT P10636 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
HRH1 P35367 1/20 0.30

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
Hydrochloric Acid SCHEMBL6993834 0.98 FAAH (0.39) FAAHMGLLEPHX2HTR1BKDM4E
Hydrochloric Acid SCHEMBL6989601 0.98 FAAH (0.39) FAAHMGLLEPHX2HTR1BKDM4E
SCHEMBL5618341 0.77 FAAH (0.65) FAAHMGLLHTR1BKDM4ETAAR1
Hydrochloric Acid SCHEMBL6998346 0.75 FAAH (0.63) FAAHMGLLHTR1BKDM4ETAAR1
SCHEMBL6990713 0.74 FAAH (0.40) FAAHMGLLEPHX2HTR1BKDM4E
Hydrochloric Acid SCHEMBL6992034 0.74 IDO1 (0.35) FAAHMGLLHTR1BKDM4ECYP17A1
Hydrochloric Acid SCHEMBL6992044 0.73 FAAH (0.39) FAAHMGLLEPHX2KDM4ETAAR1
SCHEMBL5618398 0.72 CYP17A1 (0.49) FAAHMGLLHTR1BKDM4ETAAR1
Hydrochloric Acid SCHEMBL6992470 0.72 CYP17A1 (0.41) FAAHMGLLHTR1BKDM4ETAAR1
SCHEMBL5617847 0.72 CYP17A1 (0.41) FAAHMGLLHTR1BKDM4ETAAR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP claimed
US-6096771-A ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 2000-08-01 US claimed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP claimed
JP-9227534-A None JP disclosed
CN-117954463-A Split floating diffusion pixel layout design 豪威科技股份有限公司 2024-04-30 CN disclosed
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP disclosed
US-6096771-A ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 2000-08-01 US disclosed
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 US disclosed
JP-H09227534-A MONOAMINEOXIDASE INHIBITOR SANKYO CO LTD 1997-09-02 JP disclosed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP disclosed