SCHEMBL6987697

SCHEMBL6987697

NCCOc1noc2cccc(F)c12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
SGMS2 Q8NHU3 3/20 0.36
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KIT P10721 2/20 0.33
KDR P35968 2/20 0.33
FLT3 P36888 2/20 0.33
HTR1B P28222 1/20 0.33
HTR4 Q13639 1/20 0.32
IDO1 P14902 1/20 0.32
AURKB Q96GD4 2/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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 SCHEMBL6991233 0.98 FAAH (0.38) FAAHMGLLSGMS2TAAR1KDM4E
SCHEMBL6991760 0.84 FAAH (0.42) FAAHMGLLTAAR1KDM4EKIT
SCHEMBL6990578 0.84 FAAH (0.39) FAAHMGLLTAAR1KDM4EKIT
SCHEMBL6993657 0.83 HTR4 (0.36) FAAHMGLLSGMS2KDM4EHTR1B
SCHEMBL6996394 0.83 FAAH (0.38) FAAHMGLLSGMS2TAAR1KDM4E
SCHEMBL6989881 0.83 FAAH (0.41) FAAHMGLLSGMS2TAAR1KDM4E
SCHEMBL6996512 0.83 FAAH (0.38) FAAHMGLLTAAR1KDM4EKIT
SCHEMBL6990623 0.82 FAAH (0.36) FAAHMGLLTAAR1KDM4EKIT
SCHEMBL30746759 0.82 SGMS2 (0.38) FAAHMGLLSGMS2TAAR1KDM4E
SCHEMBL5617646 0.82 SGMS2 (0.38) FAAHMGLLSGMS2TAAR1KDM4E

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 7 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
CN-1162957-A Isoxazole derivatives SANKYO CO (JP) 1997-10-22 CN disclosed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP disclosed