SCHEMBL8562468

SCHEMBL8562468

Clc1ccc2c(c1)NCc1ccccc1S2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 3/20 0.58
BCHE P06276 2/20 0.58
ACHE P22303 2/20 0.58
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DRD2 P14416 6/20 0.43
HRH1 P35367 5/20 0.43
HTR2C P28335 5/20 0.43
DRD4 P21917 3/20 0.43
TP53 P04637 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
KCNK9 Q9NPC2 2/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
NFKB1 P19838 2/20 0.43
CYP2C19 P33261 2/20 0.43
THPO P40225 2/20 0.43
HIF1A Q16665 2/20 0.43
MTOR P42345 2/20 0.43

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
SCHEMBL8558177 0.87 NOX1 (0.58) NOX1BCHEACHEHPGDL3MBTL1
SCHEMBL4510651 0.81 GAA (0.52) NOX1BCHEACHEHPGDL3MBTL1
SCHEMBL8558840 0.80 NOX1 (0.43) NOX1BCHEACHEHPGDL3MBTL1
SCHEMBL8556950 0.78 NOX1 (0.41) NOX1BCHEACHEHPGDL3MBTL1
SCHEMBL8563265 0.77 NOX1 (0.61) NOX1L3MBTL1DRD2DRD4CYP1A2
SCHEMBL30186307 0.76 MAPT (0.47) NOX1HPGDTP53MAPTMEN1
SCHEMBL130334 0.74 HPGD (0.66) NOX1BCHEACHEHPGDL3MBTL1
SCHEMBL11753994 0.74 HPGD (0.57) NOX1BCHEACHEHPGDL3MBTL1
SCHEMBL31024159 0.74 HPGD (0.66) NOX1BCHEACHEHPGDL3MBTL1
SCHEMBL236458 0.74 NOX1 (1.00) NOX1BCHEACHEL3MBTL1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed
US-5661146-A ANALGESICS G.D. SEARLE & CO. (US) 1997-08-26 US disclosed
EP-0534667-B1 Tricyclic heterocycles as PGE2 antagonists ZENECA LTD (GB) 1997-02-05 EP disclosed
EP-0703908-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1996-04-03 EP disclosed
US-5461046-A Analgesics G. D. SEARLE & CO. (US) 1995-10-24 US disclosed
US-5461047-A Analgesics and treats prostaglandin-E2 mediated diseases in animals G. D. SEARLE & CO. (US) 1995-10-24 US disclosed
US-5449675-A Analgesics G. D. SEARLE & CO. (US) 1995-09-12 US disclosed
US-5441950-A Analgesics, prostaglandin E2 antagonists G. D. SEARLE & CO. (US) 1995-08-15 US disclosed
EP-0480641-B1 Tricyclic heterocycles ZENECA LTD (GB) 1995-04-05 EP disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed
US-5317101-A Antihyperalgesics IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-05-31 US disclosed
US-5304644-A 1-,2-,3-,4-,5-,6-,7-,8- and/or 9 substituted dibenzoxazepine compounds, pharmaceutical compositions and methods for treating pain G. D. SEARLE & CO. (US) 1994-04-19 US disclosed
EP-0583408-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-02-23 EP disclosed
US-5283240-A Administering prostaglandin antagonists G. D. SEARLE & CO. (US) 1994-02-01 US disclosed
EP-0534667-A1 Tricyclic heterocycles as PGE2 antagonists ZENECA LIMITED (GB) 1993-03-31 EP disclosed
US-5189033-A Analgesics, antiiflammatory agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 US disclosed
US-5182272-A 8-substituted-dibenz[b,f][1,4]oxazepine-10(11)-carboxylic acid, substituted hydrazides, pharmaceutical compositions, and methods for treating pain G. D. SEARLE & CO. (US) 1993-01-26 US disclosed
WO-1992019605-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G. D. SEARLE & CO. (US) 1992-11-12 WO disclosed
EP-0512399-A1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. Searle & Co. (US) 1992-11-11 EP disclosed
EP-0480641-A1 Tricyclic heterocycles ZENECA LIMITED (GB) 1992-04-15 EP disclosed