SCHEMBL2113952

SCHEMBL2113952

[c]1nccc2c1NCN2

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
SCHEMBL2150570 0.59
SCHEMBL18388811 0.55 HDAC1 (0.33)
Hydrochloric Acid SCHEMBL31003509 0.55 GAA (0.41)
SCHEMBL4918593 0.53
SCHEMBL3787732 0.53
SCHEMBL31337919 0.53 NOS3 (0.35)
SCHEMBL293751 0.50
SCHEMBL269899 0.50
SCHEMBL9099559 0.49
SCHEMBL9275331 0.48 CES1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524465-B2 Agonists of bitter taste receptors and uses thereof DEUTSCHES INSTITUT FUER ERNAEHRUNGSFORSCHUNG POTSDAM-REHBRUECKE (DE) 2013-09-03 US disclosed
US-20120309703-A1 AGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF DEUTSCHES INSTITUT FUER ERNAEHRUNGSFORSCHUNG POTSDAM-REHBRUECKE (DE) 2012-12-06 US disclosed
US-8309314-B2 Agonists of bitter taste receptors and uses thereof DEUTSCHES INSTITUT FUER ERNAEHRUNGSFORSCHUNG POTSDAM-REHBRUECKE (DE) 2012-11-13 US disclosed
US-8158442-B2 Antagonists of bitter taste receptors and uses thereof Deutsches Institut Fuer Ernaehrungsforschung Potsdam-Rehbruecke-Stiftung Des Oefentlichen Rechts (DE) 2012-04-17 US disclosed
US-20100130498-A1 AGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF DEUTSHES INSTITUT FUR ERNAHRUNGSFORSCHUNG POTSDAM- REHBRUCKE (DE) 2010-05-27 US disclosed
US-20100113548-A1 ANTAGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF DEUTSCHES INSTITUT FUR ERNAHRUNGSFORSCHUNG POTSDAM-REHBRUCKE (DE) 2010-05-06 US disclosed
EP-2137530-A2 ANTAGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF Deutsches Institut für Ernährungsforschung Potsdam -Rehbrücke Stiftung des Öffentlichen Rechts (DE) 2009-12-30 EP disclosed
EP-2132564-A2 AGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF Deutsches Institut für Ernährungsforschung Potsdam -Rehbrücke Stiftung des Öffentlichen Rechts (DE) 2009-12-16 EP disclosed
WO-2008128730-A2 ANTAGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF DEUTSCHES INSTITUT FÜR ERNÄHRUNGSFORSCHUNG POTSDAM-REHBRÜCKE STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2008-10-30 WO disclosed
EP-1983342-A1 Antogonists of bitter taste receptors and uses thereof Deutsches Institut für Ernährungsforschung Potsdam -Rehbrücke-Stiftung des öffentlichen Rechts- Vertreten durch den Stiftungsvorstand (DE) 2008-10-22 EP disclosed
US-5512594-A ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES ZENECA LIMITED (GB) 1996-04-30 US disclosed
EP-0462831-B1 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1996-02-28 EP disclosed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US disclosed
WO-1995030668-A1 CYCLIC ETHER DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEM ZENECA LIMITED (GB) 1995-11-16 WO disclosed
US-5462953-A Benzoxazolyl derivatives useful as 5-lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-10-31 US disclosed
US-5364877-A Antiinflammatory agents, antiallergens ICI PHARMA (GB) 1994-11-15 US disclosed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 WO disclosed
US-5278177-A Enzyme inhibitory IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-11 US disclosed
US-5179115-A Antiinflammatory agents, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-01-12 US disclosed
EP-0462831-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP disclosed