SCHEMBL6986335

SCHEMBL6986335

CN(C)c1cccc2onc(OCCN)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTR4 Q13639 6/20 0.32
KCNA5 P22460 1/20 0.32
AURKB Q96GD4 3/20 0.32
TAAR1 Q96RJ0 1/20 0.31
CYP17A1 P05093 1/20 0.31
KDR P35968 2/20 0.30
FLT3 P36888 2/20 0.30
CHEK1 O14757 1/20 0.30
MAP4K4 O95819 1/20 0.30
ABL1 P00519 1/20 0.30
NTRK1 P04629 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
CSF1R P07333 1/20 0.30
MET P08581 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
SCHEMBL6989881 0.81 FAAH (0.41) FAAHMGLLKDM4EHTR4AURKB
SCHEMBL6991760 0.80 FAAH (0.42) FAAHMGLLKDM4EMAPTHTR4
SCHEMBL6990578 0.80 FAAH (0.39) FAAHMGLLKDM4EHTR4AURKB
SCHEMBL6987697 0.80 FAAH (0.39) FAAHMGLLKDM4EHTR4AURKB
SCHEMBL6990277 0.79 KCNA5 (0.43) FAAHMGLLKDM4EHTR4KCNA5
Hydrochloric Acid SCHEMBL6991233 0.78 FAAH (0.38) FAAHMGLLKDM4EHTR4AURKB
SCHEMBL6996512 0.78 FAAH (0.38) FAAHMGLLKDM4EHTR4AURKB
SCHEMBL6996394 0.78 FAAH (0.38) FAAHMGLLKDM4EGAAHTR4
Hydrochloric Acid SCHEMBL6994636 0.78 KCNA5 (0.43) FAAHMGLLKDM4EHTR4KCNA5
SCHEMBL6990367 0.78 FAAH (0.39) FAAHMGLLKDM4EHTR4KCNA5

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 6 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
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP disclosed