SCHEMBL311103

SCHEMBL311103

COCC(C)NC(=O)c1cc(N)cc(-c2ccc(C)cc2)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
SCHEMBL10093802 0.89
SCHEMBL405535 0.86
SCHEMBL2274832 0.86
SCHEMBL311104 0.85
Hydrochloric Acid SCHEMBL2271152 0.85
SCHEMBL13779108 0.85
SCHEMBL409901 0.83
SCHEMBL311248 0.81
SCHEMBL13774493 0.81
SCHEMBL13014751 0.80 FABP1 (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080408-A1 PYRIDINYL AMIDES AS P2X3 AND P2X2/3 INHIBITORS ROCHE PALO ALTO LLC (US) 2015-03-19 US claimed
EP-2445868-B1 BIPHENYL AMIDES USEFUL AS P2X3 AND/OR P2X2/3 RECEPTORS MODULATORS HOFFMANN LA ROCHE (CH) 2013-12-18 EP claimed
US-20130165443-A1 BIPHENYL AND PHENYL-PYRIDINE AMIDES AS P2X3 AND P2X2/3 ANTAGONISTS BROKA CHRIS ALLEN (US) 2013-06-27 US claimed
US-8283383-B2 Biphenyl amides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2012-10-09 US claimed
EP-2445868-A2 NOVEL BIPHENYL AND PHENYL-PYRIDINE AMIDES F. Hoffmann-La Roche AG (CH) 2012-05-02 EP claimed
WO-2010149578-A2 NOVEL BIPHENYL AND PHENYL-PYRIDINE AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-29 WO claimed
US-20100324056-A1 BIPHENYL AND PHENYL-PYRIDINE AMIDES AS P2X3 AND P2X2/3 ANTAGONISTS BROKA CHRIS ALLEN 2010-12-23 US claimed
US-9896439-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2018-02-20 US disclosed
US-9896439-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2018-02-20 US disclosed
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-04-06 US disclosed
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-04-06 US disclosed
US-20170081320-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-23 US disclosed
US-20170081320-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-23 US disclosed
US-20090170874-A1 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-07-02 US disclosed
US-20090170874-A1 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-07-02 US disclosed
US-20090163499-A1 Imidazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-06-25 US disclosed
US-20090163499-A1 Imidazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-06-25 US disclosed
WO-2009077366-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND /OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
WO-2009077365-A1 NOVEL IMIDAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
WO-2009077367-A1 NOVEL PYRAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed