SCHEMBL3901574

SCHEMBL3901574

Cc1cnc(C=O)nc1

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
SCHEMBL8625648 0.74 ALDH1A1 (0.35)
SCHEMBL9468511 0.72
SCHEMBL16703905 0.72
SCHEMBL12301381 0.72
SCHEMBL15264492 0.72
SCHEMBL13796541 0.72
SCHEMBL217393 0.72
SCHEMBL2195854 0.72
SCHEMBL15263884 0.72 ALDH1A1 (0.43)
SCHEMBL16715455 0.72 TP53 (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 166 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006065590-A2 PYRIDINE AND PYRIMIDINE ANTIVIRAL COMPOSITIONS XTL BIOPHARMACEUTICALS INC. (US) 2006-06-22 WO claimed
WO-2025129168-A1 TRIAZOLONE INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE AND THEIR THERAPEUTIC USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-06-19 WO disclosed
EP-3541804-B1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2025-01-22 EP disclosed
EP-3541802-B1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2025-01-01 EP disclosed
WO-2024054953-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AMGEN INC. (US) 2021-12-07 US disclosed
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AMGEN INC. (US) 2021-12-07 US disclosed
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 US disclosed
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 US disclosed
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-06-01 US disclosed
EP-1539738-B1 NOVEL ARYL- 4-HALO-4- HETEROARYLMETHYLAMINO)-METHYL -PIPERIDIN-1-YL -METHANONE DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PF MEDICAMENT (FR) 2009-03-04 EP disclosed
CN-101285094-A Primer, primer set, and nucleic acid amplification method and mutation detection method using the same RIKEN (JP) 2008-10-15 CN disclosed
CN-1308325-C Novel aryl- { 4-halogen-4- [ (heteroarylmethylamino) methyl ] -piperidin-1-yl } methanone derivatives, process for their preparation and their use as medicaments PF MEDICAMENT (FR) 2007-04-04 CN disclosed
US-20060100244-A1 Novel aryl-[4-halo-4(heteroarylmethylamino)-methyl]-piperidin-1-1yl]-methanone derivatives, methods for production and use thereof as medicaments PIERRE FABRE MEDICAMENT (FR) 2006-05-11 US disclosed
CN-1675194-A Novel aryl- { 4-halogen-4- [ (heteroarylmethylamino) methyl ] -piperidin-1-yl } methanone derivatives, process for their preparation and their use as medicaments PF MEDICAMENT (FR) 2005-09-28 CN disclosed
EP-1539738-A1 NOVEL ARYL- 4-HALO-4- HETEROARYLMETHYLAMINO)-METHYL]-PIPERIDIN-1-YL -METHANONE DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2005-06-15 EP disclosed
WO-2003106449-A1 NOVEL ARYL-{4-HALO-4-[HETEROARYLMETHYLAMINO)-METHYL]-PIPERIDIN-1-YL}-METHANONE DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2003-12-24 WO disclosed
US-4938793-A Herbicide, plant growth regulator ICI AUSTRALIA LIMITED (AU) 1990-07-03 US disclosed
US-4923989-A Compounds and compositions ICI AUSTRALIA LIMITED (AU) 1990-05-08 US disclosed
EP-0102823-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-03-14 EP disclosed