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 — —
SCHEMBL2998 0.76 HTR2C (0.46) —
SCHEMBL300921 0.76 PNMT (0.32) —
SCHEMBL1840524 0.76 PARP1 (0.42) —
SCHEMBL153127 0.73 TSHR (0.42) —
SCHEMBL10321512 0.72 TSHR (0.46) —
SCHEMBL3174767 0.69 PNMT (0.41) —
SCHEMBL1438260 0.69 CA12 (0.36) —
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
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