SCHEMBL452880

SCHEMBL452880

[c]1cnc2ccc[c]c2n1

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
SCHEMBL451910 0.83 — —
SCHEMBL31311 0.71 MAPT (0.39) —
SCHEMBL1395713 0.71 — —
SCHEMBL1973 0.70 MAPT (0.36) —
SCHEMBL10411858 0.67 — —
SCHEMBL451835 0.65 — —
SCHEMBL3569692 0.64 HTT (0.41) —
SCHEMBL7271710 0.64 CYP1A2 (0.37) —
SCHEMBL7974002 0.64 ALDH1A1 (0.37) —
SCHEMBL4848335 0.64 NCF1 (0.32) —

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2011105700-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-09-01 — — WO disclosed
EP-2253615-A1 Cyclopropyl amide derivatives AstraZeneca AB (SE) 2010-11-24 — — EP disclosed
EP-2195293-A2 CYCLOPTOPYL AMIDE DERIVATIVES AstraZeneca AB (SE) 2010-06-16 — — EP disclosed
WO-2010062245-A1 SPIROCYCLOBUTYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-03 — — WO disclosed
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 — — US disclosed
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 ASTRAZENECA AB (SE) 2009-03-19 — — US disclosed
WO-2009024823-A2 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 — — WO disclosed
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