SCHEMBL6990501

SCHEMBL6990501

Cc1ccc2c(OCCN)noc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
MAPT P10636 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 1/20 0.35
CHRNA7 P36544 2/20 0.34
HTR3A P46098 2/20 0.34
CHEK1 O14757 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
HTR2A P28223 1/20 0.32
RECQL P46063 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 2/20 0.32
USP2 O75604 1/20 0.31
MAPK10 P53779 1/20 0.31
SMN1; SMN2 Q16637 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 SCHEMBL6988404 0.98 FAAH (0.43) FAAHMGLLMAPTALDH1A1KMT2A
SCHEMBL5617540 0.88 MAPT (0.44) FAAHMGLLMAPTALDH1A1NPC1
Hydrochloric Acid SCHEMBL6994630 0.87 MAPT (0.43) FAAHMGLLMAPTALDH1A1NPC1
SCHEMBL17233061 0.83 FAAH (0.44) FAAHMGLLMAPTALDH1A1KMT2A
SCHEMBL5617572 0.82 FAAH (0.43) FAAHMGLLMAPTALDH1A1KMT2A
SCHEMBL5618318 0.82 ALDH1A1 (0.50) FAAHMGLLALDH1A1KMT2ACHRNA7
Hydrochloric Acid SCHEMBL6996114 0.81 ALDH1A1 (0.49) FAAHMGLLALDH1A1KMT2ACHRNA7
SCHEMBL2963812 0.80 FAAH (0.39) FAAHMGLLMAPTALDH1A1KMT2A
SCHEMBL5618341 0.78 FAAH (0.65) FAAHMGLLRAB9AKDM4ESMN1; SMN2
SCHEMBL2962452 0.77 KMT2A (0.40) FAAHMGLLMAPTALDH1A1KMT2A

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