SCHEMBL7998823

SCHEMBL7998823

O=C1CSc2c[c]ccc2N1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.53
MAOA P21397 10/20 0.53
EPHX2 P34913 1/20 0.53
HTT P42858 1/20 0.44
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
KIF11 P52732 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38

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
SCHEMBL590514 0.86 MAOB (0.49) MAOBMAOAEPHX2HTTPDE3B
SCHEMBL13323 0.77 ALDH1A1 (0.60) MAOBMAOAEPHX2HTTPDE3B
Hydrochloric Acid SCHEMBL30648399 0.76 ALDH1A1 (0.58) MAOBMAOAEPHX2HTTPDE3B
SCHEMBL852792 0.70 NOX1 (0.52) MAOAHTTALDH1A1LMNAGAA
SCHEMBL2028082 0.69
SCHEMBL279937 0.69 EPHX2 (1.00) MAOBMAOAEPHX2HTTPDE3B
SCHEMBL6015836 0.69 MAOB (1.00) MAOBMAOAEPHX2HTTPDE3B
SCHEMBL31469916 0.69 MAOB (0.64) MAOBMAOAEPHX2HTTPDE3B
SCHEMBL299571 0.69 MAOB (0.64) MAOBMAOAEPHX2HTTPDE3B
SCHEMBL5751107 0.69 MAOB (0.64) MAOBMAOAEPHX2HTTPDE3B

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5519022-A α, α dialkylbenzyl derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-05-21 US claimed
EP-0462813-B1 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-10-25 EP claimed
US-5321025-A Inhibitors of 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-06-14 US claimed
US-5298511-A Alkanoic acid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-03-29 US claimed
EP-0540165-A1 Alkanoic acid derivatives ZENECA LIMITED (GB) 1993-05-05 EP claimed
EP-0505122-A1 Alpha, alpha-dialkylbenzyl derivatives ZENECA LIMITED (GB) 1992-09-23 EP claimed
EP-0462813-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP claimed
WO-2001074771-A1 PYRROLE-2,5-DIONE DERIVATIVES FOR THE TREATMENT OF DIABETES SMITHKLINE BEECHAM P.L.C. (GB) 2001-10-11 WO disclosed
US-5519022-A α, α dialkylbenzyl derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-05-21 US disclosed
EP-0462813-B1 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-10-25 EP disclosed
US-5373007-A Lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-12-13 US disclosed
US-5367079-A Lipoxygenase inhibitors; antiinflammatory agents, antiallergens ZENECA LIMITED (GB) 1994-11-22 US disclosed
US-5321025-A Inhibitors of 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-06-14 US disclosed
US-5288742-A Lipoxygenase inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-22 US disclosed
EP-0581464-A1 Ester derivatives and pharmaceutical compositions containing them ZENECA LIMITED (GB) 1994-02-02 EP disclosed
EP-0570112-A1 Cycloalkane derivatives ZENECA LIMITED (GB) 1993-11-18 EP disclosed
US-5217969-A Antiinflammatory, antiulcer agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US disclosed
EP-0540165-A1 Alkanoic acid derivatives ZENECA LIMITED (GB) 1993-05-05 EP disclosed
EP-0505122-A1 Alpha, alpha-dialkylbenzyl derivatives ZENECA LIMITED (GB) 1992-09-23 EP disclosed
EP-0462813-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP disclosed