SCHEMBL6989173

SCHEMBL6989173

Cc1ccc2onc(OCCN)c2c1C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHEK1 O14757 1/20 0.31
PRKCH P24723 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCD Q05655 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
KDM4E B2RXH2 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 SCHEMBL6988527 0.98 FAAH (0.35) FAAHMGLLCYP1A2CYP2C19CHEK1
SCHEMBL6996361 0.87 FAAH (0.35) FAAHMGLLCHEK1
SCHEMBL6986977 0.87 FAAH (0.35) FAAHMGLLCHEK1
SCHEMBL6999378 0.85 CHEK1 (0.34) FAAHMGLLCHEK1
SCHEMBL8201516 0.85 FAAH (0.34) FAAHMGLLCHEK1
SCHEMBL6987604 0.85 FAAH (0.34) FAAHMGLLCHEK1
Hydrochloric Acid SCHEMBL6989175 0.85 FAAH (0.34) FAAHMGLLCHEK1KDM4E
SCHEMBL6989241 0.84 FAAH (0.33) FAAHMGLL
Hydrochloric Acid SCHEMBL6989236 0.84 FAAH (0.33) FAAHMGLLKDM4E
Hydrochloric Acid SCHEMBL6994162 0.84 CHEK1 (0.34) FAAHMGLLCHEK1KDM4E

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