SCHEMBL4116200

SCHEMBL4116200

Cc1nnc(C(N)C(C)(C)C)o1

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
SCHEMBL16843059 0.79
SCHEMBL21452345 0.79
SCHEMBL19814579 0.79
SCHEMBL4115896 0.78 MAPT (0.32)
SCHEMBL4047730 0.78 KDM4E (0.35)
Hydrochloric Acid SCHEMBL23610844 0.77 PKM (0.43)
SCHEMBL4114076 0.77
Hydrochloric Acid SCHEMBL1214294 0.77 KDM4E (0.34)
Hydrochloric Acid SCHEMBL3916229 0.77 KDM4E (0.34)
SCHEMBL443266 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US claimed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US claimed
EP-2928867-B1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2017-08-09 EP disclosed
EP-2928867-B1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2017-08-09 EP disclosed
US-9409866-B2 Pyridine-2-amides useful as CB2 agonists HOFFMANN-LA ROCHE INC. (US) 2016-08-09 US disclosed
US-9409866-B2 Pyridine-2-amides useful as CB2 agonists HOFFMANN-LA ROCHE INC. (US) 2016-08-09 US disclosed
US-9409866-B2 Pyridine-2-amides useful as CB2 agonists HOFFMANN-LA ROCHE INC. (US) 2016-08-09 US disclosed
US-20150344429-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-12-03 US disclosed
US-20150344429-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-12-03 US disclosed
US-20150344429-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-12-03 US disclosed
EP-2928867-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. Hoffmann-La Roche AG (CH) 2015-10-14 EP disclosed
WO-2014086805-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO disclosed
WO-2014086805-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO disclosed