SCHEMBL21726

SCHEMBL21726

[C]1NCc2ccccc21

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
SCHEMBL2746647 1.00
SCHEMBL300921 0.76 PNMT (0.32)
SCHEMBL2998 0.76 HTR2C (0.46)
SCHEMBL1840524 0.76 PARP1 (0.42)
SCHEMBL153127 0.73 TSHR (0.42)
SCHEMBL10321512 0.72 TSHR (0.46)
SCHEMBL1438260 0.69 CA12 (0.36)
SCHEMBL3174767 0.69 PNMT (0.41)
SCHEMBL157192 0.67 PARP1 (0.38)
SCHEMBL449280 0.67 HTR2C (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

Appears in 11128 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024126648-A1 SULFOXIMINES AS INHIBITORS OF NaV1.8 Grünenthal GmbH (DE) 2024-06-20 WO claimed
EP-4385979-A1 MULTICYCLIC INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2024-06-19 EP claimed
EP-4385980-A1 INDAZOLES AS INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2024-06-19 EP claimed
EP-4385984-A1 PYRIDINE-N-OXIDES AS INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2024-06-19 EP claimed
CN-118076602-A Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses 嘉兴优博生物技术有限公司 2024-05-24 CN claimed
US-11939314-B2 Quinolin-2-one derivatives MERCK PATENT GMBH (DE) 2024-03-26 US claimed
US-20240083903-A1 ARYL ETHER COMPOUNDS AS TEAD MODULATORS MERCK SHARP & DOHME LLC (US) 2024-03-14 US claimed
EP-4301816-A1 COATING COMPOSITIONS COMPRISING A POLYSULFIDE CORROSION INHIBITOR PRC-Desoto International, Inc. (US) 2024-01-10 EP claimed
CN-117377727-A Coating composition comprising polysulfide corrosion inhibitor PRC-迪索托国际公司 2024-01-09 CN claimed
EP-4294382-A1 ARYL ETHER COMPOUNDS AS TEAD MODULATORS Merck Sharp & Dohme LLC (US) 2023-12-27 EP claimed
WO-2002002556-A2 AZA-BRIDGED-BICYCLIC AMINO ACID DERIVATIVES AS α4 INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-01-10 WO claimed
US-6291469-B1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation ELI LILLY AND COMPANY 2001-09-18 US claimed
EP-0923551-A1 4-AMINOETHOXY INDOLONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-06-23 EP claimed
US-5817690-A ANTIDOPAMINE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-10-06 US claimed
WO-1998008819-A1 4-AMINOETHOXY INDOLONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-05 WO claimed
EP-0552489-B1 Peptide, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-03-04 EP claimed
US-5614497-A TREATMENT OF HYPERTENSION, CARDIOVASCULAR DISEASE AND RENAL DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-25 US claimed
US-5374416-A Nitrogenous macrocyclic ligands, polymetallic complexes and diagnostic and therapeutic composition GUERBET S.A. (FR) 1994-12-20 US claimed
US-5318963-A Heterocyclic hydrazide derivatives of monocyclic β-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1994-06-07 US claimed
EP-0552489-A2 Peptide, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP claimed