SCHEMBL7489249

SCHEMBL7489249

CCC(=O)c1ccc2c(c1)SCC(=O)N2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 9/20 0.56
▸ MAOA P21397 8/20 0.56
▸ EPHX2 P34913 1/20 0.56
▸ HTT P42858 2/20 0.55
▸ LMNA P02545 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ HPGD P15428 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL8786235 0.85 MAOB (0.56) MAOBMAOAEPHX2HTTLMNA
SCHEMBL8786021 0.83 MAOB (0.61) MAOBMAOAEPHX2HTTLMNA
SCHEMBL9730163 0.83 HTT (0.56) MAOBMAOAEPHX2HTTLMNA
SCHEMBL8923643 0.82 HTT (0.49) MAOBMAOAEPHX2HTTLMNA
SCHEMBL3006703 0.81 HTT (0.79) MAOBMAOAEPHX2HTTLMNA
SCHEMBL22226781 0.79 LMNA (0.82) MAOBMAOAEPHX2HTTLMNA
SCHEMBL24427934 0.78 EPHX2 (0.55) MAOBMAOAEPHX2HTTLMNA
SCHEMBL5461698 0.77 MAOB (0.54) MAOBMAOAEPHX2HTTLMNA
SCHEMBL4653865 0.77 HTT (0.62) MAOBMAOAEPHX2HTTLMNA
SCHEMBL9730392 0.76 HTT (0.51) MAOBMAOAEPHX2HTTLMNA

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
CN-1071427-A 6-Benzoxazinyl and 6-benzothiazine base-2,3,4,5-tetrahydro pyridazine-3-ketone ORTHO PHARMA CORP (US) 1993-04-28 — — CN disclosed
EP-0509845-A1 (+) and (-) enantiomers of 5-aliphatic-6-(benzoxazinyl- or benzothiazinyl)-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1992-10-21 — — EP disclosed
US-5081242-A Cardiotonic and bronchodilator agents; phosphodiesterase inhibitors ORTHO PHARMACEUTICAL CORPORATION (US) 1992-01-14 — — US disclosed
CN-87108354-A 6-benzoxazinyl and 6-benzothiazinyl-2, 3, 4, 5-tetrahydropyridazin-3-ones — 1988-09-21 — — CN disclosed
US-4766118-A CARDIOTONIC AGENTS, PHOSPHODIESTERASE INHIBITORS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-08-23 — — US disclosed
EP-0272914-A2 6-Benzoxazinyl- and 6-benzothiazinyl-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1988-06-29 — — EP disclosed
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