SCHEMBL6996512

SCHEMBL6996512

NCCOc1noc2cccc(Br)c12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
IDO1 P14902 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KIT P10721 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
HTR1B P28222 1/20 0.32
HTR4 Q13639 5/20 0.32
AURKB Q96GD4 1/20 0.31
LTA4H P09960 1/20 0.30
PLA2G2A P14555 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCD Q05655 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
SCHEMBL6987697 0.83 FAAH (0.39) FAAHMGLLIDO1TAAR1KDM4E
SCHEMBL6990578 0.83 FAAH (0.39) FAAHMGLLTAAR1KDM4EKIT
SCHEMBL6991760 0.83 FAAH (0.42) FAAHMGLLTAAR1KDM4EKIT
SCHEMBL6996394 0.82 FAAH (0.38) FAAHMGLLTAAR1KDM4EKIT
SCHEMBL6989881 0.82 FAAH (0.41) FAAHMGLLTAAR1KDM4EKIT
Hydrochloric Acid SCHEMBL6991233 0.82 FAAH (0.38) FAAHMGLLIDO1TAAR1KDM4E
Hydrochloric Acid SCHEMBL6991390 0.81 FAAH (0.38) FAAHMGLLTAAR1KDM4EKIT
SCHEMBL6987604 0.79 FAAH (0.34) FAAHMGLLIDO1
SCHEMBL6990277 0.79 KCNA5 (0.43) FAAHMGLLTAAR1KDM4EHTR1B
SCHEMBL30784548 0.79 FAAH (0.35) FAAHMGLLHTR4

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
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP claimed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP claimed
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
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP disclosed