SCHEMBL82645

SCHEMBL82645

[c]1cccc2nnccc12

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
SCHEMBL17511851 0.75 ALDH1A1 (0.34)
SCHEMBL17511875 0.75 GPR3 (0.35)
SCHEMBL525029 0.74 ALDH1A1 (0.33)
SCHEMBL3835467 0.72
SCHEMBL18594 0.71 ALDH1A1 (0.44)
SCHEMBL452564 0.70
SCHEMBL80737 0.68 GPR3 (0.35)
SCHEMBL452229 0.68
SCHEMBL3934900 0.68
SCHEMBL1744596 0.67 KDM4E (0.43)

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 1292 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423212-B1 PROCESS FOR PRODUCTION OF 2-AZAADAMANTANE COMPOUND FROM BICYCLOCARBAMATE COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-06-01 EP claimed
EP-2969593-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES Bridgestone Corporation (JP) 2016-01-20 EP claimed
WO-2014149931-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORPORATION (JP) 2014-09-25 WO claimed
EP-1506166-B1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2011-11-16 EP claimed
WO-2011131712-A1 METAL HYBRID COMPOSITE CASTING Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2011-10-27 WO claimed
JP-2011526291-A 2011-10-06 JP claimed
EP-2331526-A2 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-06-15 EP claimed
US-20110112096-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ITM LLC (BM) 2011-05-12 US claimed
EP-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 EP claimed
US-7678812-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA NV (BE) 2010-03-16 US claimed
US-6984647-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-10 US claimed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO claimed
EP-1506166-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP claimed
US-20030236280-A1 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2003-12-25 US claimed
WO-2003097586-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO claimed
EP-0751944-B1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2000-12-20 EP claimed
US-5955481-A Pyridine type thiazolidines NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-21 US claimed
EP-0822187-A1 PYRAZOLE DERIVATIVES AND HERBICIDES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-02-04 EP claimed
EP-0751944-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-01-08 EP claimed
WO-1995026347-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-05 WO claimed