SCHEMBL6987159

SCHEMBL6987159

N#Cc1c(F)ccc2onc(OCCN)c12

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
IDO1 P14902 1/20 0.32
FAAH O00519 1/20 0.30
MGLL Q99685 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 SCHEMBL6994791 0.99 ALDH1A1 (0.33) ALDH1A1MAPK1HSD17B10IDO1
SCHEMBL6997384 0.85 LMNA (0.32) ALDH1A1MAPK1HSD17B10FAAHMGLL
SCHEMBL6988542 0.85 ALDH1A1 (0.31) ALDH1A1MAPK1HSD17B10
SCHEMBL6986977 0.79 FAAH (0.35) ALDH1A1IDO1FAAHMGLL
SCHEMBL6987697 0.79 FAAH (0.39) IDO1FAAHMGLL
Hydrochloric Acid SCHEMBL6989175 0.78 FAAH (0.34) ALDH1A1IDO1FAAHMGLL
Hydrochloric Acid SCHEMBL6991233 0.77 FAAH (0.38) MAPK1IDO1FAAHMGLL
SCHEMBL30746759 0.77 SGMS2 (0.38) FAAHMGLL
SCHEMBL5617646 0.77 SGMS2 (0.38) FAAHMGLL
Hydrochloric Acid SCHEMBL6992633 0.76 SGMS2 (0.37) FAAHMGLL

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 8 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
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 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