SCHEMBL3337457

SCHEMBL3337457

C1CCC2CNN=C2C1

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
SCHEMBL9246752 0.98 NISCH (0.32)
SCHEMBL5186764 0.82 NISCH (0.33)
SCHEMBL1022057 0.82 NISCH (0.33)
SCHEMBL9143012 0.80 NISCH (0.36)
SCHEMBL18279845 0.78
SCHEMBL8329973 0.77 NISCH (0.33)
SCHEMBL209981 0.74
SCHEMBL11082757 0.70 CRBN (0.35)
SCHEMBL11086685 0.70 CRBN (0.35)
SCHEMBL11547718 0.70 NISCH (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2610247-B1 Arylsulfonyl pyrazoline carboxamidine derivatives as 5-HT6 antagonists ABBVIE BAHAMAS LTD (BS) 2016-05-25 EP disclosed
EP-2610247-B1 Arylsulfonyl pyrazoline carboxamidine derivatives as 5-HT6 antagonists ABBVIE BAHAMAS LTD (BS) 2016-05-25 EP disclosed
EP-2265589-B1 ARYLSULFONYL PYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS ABBVIE BAHAMAS LTD (BS) 2016-01-27 EP disclosed
EP-2265589-B1 ARYLSULFONYL PYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS ABBVIE BAHAMAS LTD (BS) 2016-01-27 EP disclosed
US-9126942-B2 Arylsulfonyl pyrazoline carboxamidine derivatives as 5-HT6 antagonists ABBVIE BAHAMAS LIMITED (BS) 2015-09-08 US disclosed
US-9126942-B2 Arylsulfonyl pyrazoline carboxamidine derivatives as 5-HT6 antagonists ABBVIE BAHAMAS LIMITED (BS) 2015-09-08 US disclosed
US-20150051239-A1 ARYLSULFONYL PYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS ABBVIE BAHAMAS LIMITED (BS) 2015-02-19 US disclosed
US-20150051239-A1 ARYLSULFONYL PYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS ABBVIE BAHAMAS LIMITED (BS) 2015-02-19 US disclosed
US-8901108-B2 Arylsulfonyl pyrazoline carboxamidine derivatives as 5-HT6 antagonists ABBVIE BAHAMAS LIMITED (BS) 2014-12-02 US disclosed
US-8901108-B2 Arylsulfonyl pyrazoline carboxamidine derivatives as 5-HT6 antagonists ABBVIE BAHAMAS LIMITED (BS) 2014-12-02 US disclosed
US-4733011-A ULTRAVIOLET RADIATION FOR DECYCLIZATION MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-03-22 US disclosed
US-4680288-A Sulfur-containing 6-ketoprostaglandins MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-07-14 US disclosed
EP-0150461-A2 Sulfur containing 6-Ketoprostaglandines MERCK PATENT GmbH (DE) 1985-08-07 EP disclosed
EP-0043446-B1 INTERMEDIATES OF 13-THIA-PROSTAGLANDIN, THEIR PREPARATION AND APPLICATION TO THE SYNTHESIS OF 13-THIA-PROSTAGLANDIN DERIVATIVES MERCK PATENT GmbH (DE) 1984-02-22 EP disclosed
EP-0084775-A1 13-Thia-prostacyclines MERCK PATENT GmbH (DE) 1983-08-03 EP disclosed
US-4309441-A HYPOTENSIVE AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-01-05 US disclosed
US-4210651-A Thiaprostaglandins MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-07-01 US disclosed
US-4180672-A 2-Organothio-2-cyclopentenones, organothio-cyclopentanes derived therefrom TEIJIN LIMITED (JP) 1979-12-25 US disclosed
US-4080458-A HYPOTENSIVE AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1978-03-21 US disclosed
US-3932487-A HYPOTENSIVE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-13 US disclosed