SCHEMBL6986977

SCHEMBL6986977

Cc1c(F)ccc2onc(OCCN)c12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
IDO1 P14902 1/20 0.33
CHEK1 O14757 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TRPA1 O75762 1/20 0.31
RET P07949 1/20 0.31

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 SCHEMBL6989175 0.99 FAAH (0.34) FAAHMGLLIDO1CHEK1ALDH1A1
SCHEMBL6989173 0.87 FAAH (0.35) FAAHMGLLCHEK1
Hydrochloric Acid SCHEMBL6988527 0.85 FAAH (0.35) FAAHMGLLCHEK1
SCHEMBL6999378 0.84 CHEK1 (0.34) FAAHMGLLCHEK1
SCHEMBL8201516 0.84 FAAH (0.34) FAAHMGLLIDO1CHEK1
SCHEMBL6987604 0.84 FAAH (0.34) FAAHMGLLIDO1CHEK1
Hydrochloric Acid SCHEMBL6989236 0.83 FAAH (0.33) FAAHMGLLIDO1
Hydrochloric Acid SCHEMBL6994162 0.83 CHEK1 (0.34) FAAHMGLLCHEK1
Hydrochloric Acid SCHEMBL6995880 0.83 FAAH (0.33) FAAHMGLLIDO1
SCHEMBL6990494 0.82 FAAH (0.33) FAAHMGLLIDO1

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
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
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