SCHEMBL292896

SCHEMBL292896

[CH]=CC(=O)NCC

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL2656608 0.79
SCHEMBL1395660 0.77 SLC6A19 (0.44)
SCHEMBL1395636 0.77 SLC6A19 (0.44)
SCHEMBL2535335 0.77 SLC6A19 (0.44)
SCHEMBL412525 0.74
SCHEMBL4768911 0.74
SCHEMBL4890524 0.74
SCHEMBL498719 0.72
SCHEMBL17047583 0.72 TSHR (0.62)
SCHEMBL15005 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO claimed
US-5668137-A N-heterocyclic sulfonamides having endothelin receptor activity ZENECA LTD. (GB) 1997-09-16 US claimed
EP-0749964-A1 N-Heterocyclyl biphenyl sulfonamides ZENECA LIMITED (GB) 1996-12-27 EP claimed
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-8598162-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-12-03 US disclosed
EP-2287161-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
EP-2287162-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
EP-2284169-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-03-14 EP disclosed
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. 2012-02-02 US disclosed
EP-1919907-B9 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-01-18 EP disclosed
EP-0813525-A1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1997-12-29 EP disclosed
US-5691364-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1997-11-25 US disclosed
WO-1997043280-A1 3-PHENYL-FURAN-(5H)-2-ONE AND DIHYDROFURAN-2-ONE DERIVATIVES AS ANTIBACTERIAL AGENTS ZENECA LIMITED (GB) 1997-11-20 WO disclosed
US-5668137-A N-heterocyclic sulfonamides having endothelin receptor activity ZENECA LTD. (GB) 1997-09-16 US disclosed
WO-1997030995-A1 ANTIBIOTIC OXAZOLIDINONE DERIVATIVES ZENECA LIMITED (GB) 1997-08-28 WO disclosed
EP-0749964-A1 N-Heterocyclyl biphenyl sulfonamides ZENECA LIMITED (GB) 1996-12-27 EP disclosed
WO-1996028427-A1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1996-09-19 WO disclosed