SCHEMBL9965931

SCHEMBL9965931

C1CC2=C(C1)NNN2

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
SCHEMBL22057339 0.65
SCHEMBL8047062 0.58
SCHEMBL8866832 0.54 OR51E2 (0.47)
SCHEMBL5507318 0.54
SCHEMBL875668 0.49
SCHEMBL7577171 0.49
SCHEMBL1495223 0.49
SCHEMBL4468517 0.46
SCHEMBL276387 0.46
SCHEMBL1411709 0.46

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563123-B1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2018-04-25 EP disclosed
US-20170362220-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
US-20170360800-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
EP-2595483-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2017-03-22 EP disclosed
US-20160235727-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2016-08-18 US disclosed
US-9186354-B2 Pyrrolidine derived β3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2015-11-17 US disclosed
WO-2015050798-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2015-04-09 WO disclosed
US-8933102-B2 Pyrrolidine derived β3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2015-01-13 US disclosed
EP-2470012-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-11-05 EP disclosed
US-20140315912-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2014-10-23 US disclosed
WO-2012058130-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
WO-2012012314-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-26 WO disclosed
WO-2011137054-A1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-03 WO disclosed
WO-2011025690-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2011-03-03 WO disclosed
US-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2011-02-03 US disclosed
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
US-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2011-02-03 US disclosed
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
WO-2009123870-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO disclosed
WO-2009124167-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO disclosed