SCHEMBL80954

SCHEMBL80954

O=[C]Nc1ccccn1

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
SCHEMBL1448811 0.78 NPC1 (0.48)
SCHEMBL1705211 0.77
SCHEMBL4241040 0.77
SCHEMBL6100638 0.77
SCHEMBL1466423 0.77
SCHEMBL6039786 0.72 CXCR4 (0.55)
SCHEMBL29391624 0.72 KMT2A (0.76)
SCHEMBL221242 0.72 KMT2A (0.76)
SCHEMBL10405315 0.72 MEN1 (0.61)
SCHEMBL969653 0.71

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

Appears in 3170 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092773-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES UCB Biopharma SRL (BE) 2024-03-21 US claimed
US-20240018140-A1 MODIFIED IMIDAZOPYRIDINES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-01-18 US claimed
EP-4213843-A2 MODIFIED IMIDAZOPYRIDINES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Merck Sharp & Dohme LLC (US) 2023-07-26 EP claimed
WO-2023087632-A1 ANTI-INFLAMMATORY ANALGESIC COMPOUND AND USE THEREOF 江苏新元素医药科技有限公司 2023-05-25 WO claimed
CN-109721531-B Novel liposome kinase inhibitor 中国科学院合肥物质科学研究院 2022-07-29 CN claimed
CN-114656429-A Anti-inflammatory analgesic compound and application thereof 江苏新元素医药科技有限公司 2022-06-24 CN claimed
WO-2022060763-A2 MODIFIED IMIDAZOPYRIDINES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-03-24 WO claimed
CN-107074801-B Aryl and arylalkyl substituted pyrazolyl and pyrimidinyl tricyclenones as antioxidant inflammatory modulators 里亚塔医药公司 2021-11-05 CN claimed
WO-2021130257-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES UCB Biopharma SRL (BE) 2021-07-01 WO claimed
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2021-04-27 US claimed
WO-1993021213-A1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO claimed
US-5254558-A Substituted 1,3-diazines as leukocyte elastase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US claimed
EP-0528633-A1 Pyrimidinyl acetamides as elastase inhibitors ZENECA LIMITED (GB) 1993-02-24 EP claimed
WO-1992018478-A1 HETEROCYCLIC AMINES USEFUL IN THE THERAPY OF ASTHMA AND INFLAMMATION OF THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-10-29 WO claimed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP claimed
EP-0314432-A2 Fungicidal pyridyl sulphenyl carbamates ICI AMERICAS INC. (US) 1989-05-03 EP claimed
EP-0253711-A1 1H,3H-pyrrolo[1,2-c]thiazole derivatives, their preparation and pharmaceutical compositions containing them RHONE-POULENC SANTE (FR) 1988-01-20 EP claimed
US-4716162-A BRAIN FUNCTION SANKYO COMPANY, LIMITED (JP) 1987-12-29 US claimed
US-4617401-A ANTISPASMODIC AGENTS, VASODILATORS SUNTORY LTD. (JP) 1986-10-14 US claimed
EP-0157346-A2 Quinolizinone compound, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-10-09 EP claimed