SCHEMBL6990367

SCHEMBL6990367

CNc1cccc2onc(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
HTR4 Q13639 5/20 0.32
AURKB Q96GD4 3/20 0.32
RRM2 P31350 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KCNA5 P22460 1/20 0.30
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) FAAHMGLLHTR4AURKBTAAR1
SCHEMBL6987697 0.80 FAAH (0.39) FAAHMGLLHTR4AURKBTAAR1
SCHEMBL6991760 0.80 FAAH (0.42) FAAHMGLLHTR4AURKBTAAR1
SCHEMBL6990578 0.80 FAAH (0.39) FAAHMGLLHTR4AURKBTAAR1
SCHEMBL6990277 0.79 KCNA5 (0.43) FAAHMGLLHTR4TAAR1KDM4E
SCHEMBL6996394 0.78 FAAH (0.38) FAAHMGLLHTR4AURKBTAAR1
SCHEMBL6996512 0.78 FAAH (0.38) FAAHMGLLHTR4AURKBTAAR1
Hydrochloric Acid SCHEMBL6991233 0.78 FAAH (0.38) FAAHMGLLHTR4AURKBTAAR1
SCHEMBL6986335 0.78 FAAH (0.39) FAAHMGLLHTR4AURKBTAAR1
Hydrochloric Acid SCHEMBL6994636 0.78 KCNA5 (0.43) FAAHMGLLHTR4TAAR1KDM4E

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
CN-1162957-A Isoxazole derivatives SANKYO CO (JP) 1997-10-22 CN 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