SCHEMBL6991834

SCHEMBL6991834

Cc1ccc2c(OCCN(C=O)OC(C)(C)C)noc2n1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 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
SCHEMBL6989301 0.83 CYP17A1 (0.35) CYP17A1
SCHEMBL6991033 0.77 IDO1 (0.39)
SCHEMBL8375523 0.73 HRH3 (0.33)
SCHEMBL6988400 0.73
SCHEMBL6991844 0.73 FAAH (0.34)
SCHEMBL8374998 0.72 HRH3 (0.35)
Hydrochloric Acid SCHEMBL6992034 0.72 IDO1 (0.35) CYP17A1
SCHEMBL6991825 0.71 CA12 (0.43)
SCHEMBL8376486 0.71 PTGS1 (0.38)
SCHEMBL8380071 0.70 TRPV1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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