SCHEMBL451881

SCHEMBL451881

[c]1ccc2ncc[c]c2c1

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
SCHEMBL452262 0.83
SCHEMBL8727 0.73 ALDH1A1 (0.41)
SCHEMBL25470 0.72 KDM4E (0.32)
SCHEMBL16358 0.70 SIGMAR1 (0.31)
SCHEMBL452005 0.68
SCHEMBL5749391 0.67 CDK5 (0.37)
SCHEMBL856993 0.67 CCNC (0.35)
SCHEMBL4467255 0.67 ALDH1A1 (0.46)
SCHEMBL944985 0.67 HTT (0.41)
SCHEMBL157455 0.67 CCR1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H08509967-A 1996-10-22 JP claimed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP claimed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO claimed
CN-113166098-A Triazine compound, material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-07-23 CN disclosed
US-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-08-06 US disclosed
US-9029381-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2015-05-12 US disclosed
EP-2805937-A1 Cyclopropyl amide derivatives AstraZeneca AB (SE) 2014-11-26 EP disclosed
EP-2253615-B1 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2014-07-09 EP disclosed
EP-2195293-B1 CYCLOPTOPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2013-10-16 EP disclosed
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 ASTRAZENECA AB (SE) 2012-03-15 US disclosed
US-8063215-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2011-11-22 US disclosed
WO-2009024823-A2 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
US-6166210-A Perylene imide monocarboxylic acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-12-26 US disclosed
EP-1053228-A1 PERYLENE IMIDE MONOCARBOXYLIC ACIDS AS COLORANTS Ciba SC Holding AG (CH) 2000-11-22 EP disclosed
WO-1999031069-A1 PERYLENE IMIDE MONOCARBOXYLIC ACIDS AS COLORANTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-06-24 WO disclosed
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed