SCHEMBL6163592

SCHEMBL6163592

C1=CN2CN=NC2=CN=C1

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
SCHEMBL30233709 0.71
SCHEMBL9959291 0.60
SCHEMBL17527498 0.57
SCHEMBL5238589 0.55
SCHEMBL3963902 0.52
SCHEMBL5935050 0.52
SCHEMBL17232939 0.51
SCHEMBL5888231 0.45
SCHEMBL5100457 0.44
SCHEMBL17157485 0.42

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013030665-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2013-03-07 WO claimed
US-12247037-B2 1-(2,6-diazaspiro[3.3]heptan-6-yl)-5,6-dihydro-4h-benzo[f][1,2,4]triazolo[4,3-A][1,4]diazepine derivatives and related compounds as vasopressin antagonists for the treatment of neuro-psychological disorders Neumora Therapeutics, Inc. (US) 2025-03-11 US disclosed
US-11858943-B2 Vasopressin receptor antagonists and products and methods related thereto Neumora Therapeutics, Inc. (US) 2024-01-02 US disclosed
US-20230093235-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2023-03-23 US disclosed
US-20230084719-A1 1-(2,6-DIAZASPIRO[3.3]HEPTAN-6-YL)-5,6-DIHYDRO-4H-BENZO[F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS VASOPRESSIN ANTAGONISTS FOR THE TREATMENT OF NEURO-PSYCHOLOGICAL DISORDERS BLACKTHORN THERAPEUTICS, INC. 2023-03-16 US disclosed
US-10562909-B2 Fused quadracyclic compounds, compositions and uses thereof Tabomedex Biosciences, LLC (US) 2020-02-18 US disclosed
EP-3416969-A1 FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS The Regents of The University of Michigan (US) 2018-12-26 EP disclosed
US-20180319809-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC 2018-11-08 US disclosed
WO-2017142881-A1 FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-08-24 WO disclosed
WO-2016171470-A1 BROMODOMAIN-INHIBITING COMPOUNDS AND METHODS TO PREVENT OR TREAT A CANCER KAINOS MEDICINE, INC. (KR) 2016-10-27 WO disclosed
EP-2751114-A1 6H-THIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPINES Bayer Intellectual Property GmbH (DE) 2014-07-09 EP disclosed
WO-2013030150-A1 6H-THIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-07 WO disclosed
EP-1567526-A1 CARBAMIC ACID ESTERS WITH AN ANTICHOLINERGIC ACTION Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-08-31 EP disclosed
EP-0934310-B1 THIO ACID DERIVED MONOCYCLIC N-HETEROCYCLICS AS ANTICOAGULANTS SCHERING AG (DE) 2005-02-09 EP disclosed
WO-2004048373-A1 CARBAMIC ACID ESTERS WITH AN ANTICHOLINERGIC ACTION BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-10 WO disclosed