SCHEMBL805513

SCHEMBL805513

CCCc1ccncn1

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
SCHEMBL7897858 0.87 CYP2D6 (0.46)
SCHEMBL655664 0.85 KCNH2 (0.47)
SCHEMBL27648727 0.84 KCNH2 (0.50)
SCHEMBL18783298 0.84 KCNH2 (0.50)
SCHEMBL9513948 0.84 KCNH2 (0.50)
SCHEMBL22308364 0.84 KCNH2 (0.50)
SCHEMBL3477002 0.82 CYP1A2 (0.40)
SCHEMBL250764 0.81
SCHEMBL30022180 0.81
Ammonia Solution, Strong SCHEMBL28054333 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708381-B2 Inhibitors of androgen receptor signaling XAVIER UNIVERSITY OF LOUISIANA (US) 2023-07-25 US disclosed
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-20230203053-A1 HALOGENATED DERIVATIVES OF MORPHINANS AND USES THEREOF XALUD THERAPEUTICS, INC. (US) 2023-06-29 US disclosed
US-20230203053-A1 HALOGENATED DERIVATIVES OF MORPHINANS AND USES THEREOF XALUD THERAPEUTICS, INC. (US) 2023-06-29 US disclosed
US-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-29 US disclosed
US-11530198-B2 Compositions and methods for treating infections Vyera Pharmaceuticals, LLC (US) 2022-12-20 US disclosed
US-11072585-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2021-07-27 US disclosed
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-22 US disclosed
US-20210130380-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2021-05-06 US disclosed
US-20210128589-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2021-05-06 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-20100105910-A1 BLOCKING AGENTS FOR ORGANOBORANE COMPOUNDS DOW GLOBAL TECHNOLOGIES INC. (US) 2010-04-29 US disclosed
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-7262186-B2 Substituted pyrazolo[3,4-d] pyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262187-B2 Substituted oxazolo- and thizaolopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
WO-2004108706-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2004-12-16 WO disclosed
WO-2002090328-A1 THE PREPARATION OF SUBSTITUTED PYRIDINES UTILIZING NITRIC AND AN ANHYDRIDE REILLY INDUSTRIES, INC. (US) 2002-11-14 WO disclosed