SCHEMBL738163

SCHEMBL738163

CC(C)(C)[C@H](N)C#N

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
SCHEMBL5348960 1.00
SCHEMBL23278430 1.00
Hydrochloric Acid SCHEMBL17646515 0.97
SCHEMBL29155837 0.75
Water SCHEMBL28259578 0.75
Hydrochloric Acid SCHEMBL9676662 0.73
SCHEMBL23093759 0.71
SCHEMBL18977593 0.69
SCHEMBL22046117 0.68
SCHEMBL19121313 0.67 DPP4 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138177-B2 Benzimidazolone derivatives as CB2 receptor ligands PFIZER INC. (US) 2012-03-20 US disclosed
EP-1861377-B1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS PFIZER (US) 2010-12-29 EP disclosed
US-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES PFIZER INC 2009-12-03 US disclosed
EP-2114897-A2 BENZIMIDAZOLONE DERIVATIVES Pfizer Products Inc. (US) 2009-11-11 EP disclosed
US-20090181957-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS ANDO KAZUO 2009-07-16 US disclosed
WO-2008032164-A2 BENZIMIDAZOLONE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-03-20 WO disclosed
EP-1861377-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS Pfizer, Inc. (US) 2007-12-05 EP disclosed
WO-2006097808-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS PFIZER JAPAN INC. (JP) 2006-09-21 WO disclosed