SCHEMBL38597

SCHEMBL38597

[c]1ccc2c3c(cccc13)C=C2

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
SCHEMBL7313457 0.78 IDO1 (0.37)
SCHEMBL130137 0.74 CA1 (0.31)
SCHEMBL129655 0.74 CA1 (0.31)
SCHEMBL150633 0.70 CYP1A2 (0.35)
SCHEMBL1046556 0.70 CYP1A2 (0.35)
SCHEMBL7470455 0.69 TRPA1 (0.33)
SCHEMBL2014205 0.67 ALDH1A1 (0.35)
SCHEMBL7794437 0.67 PDPK1 (0.31)
SCHEMBL7425157 0.67 CYP1A2 (0.36)
SCHEMBL490325 0.67 MAPK1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009003952-A2 COLUMN AND METHOD FOR PREPARING A BIOLOGICAL SAMPLE FOR PROTEIN PROFILING PRONOTA N.V. (BE) 2009-01-08 WO claimed
EP-1019046-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM (US) 2002-11-27 EP claimed
US-20020049316-A1 Protease inhibitors HALBERT STACIE MARIE (US) 2002-04-25 US claimed
EP-1019046-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-07-19 EP claimed
US-6071969-A ADMINISTERING AMINOGUANIDINE DERIVATIVE TO MAMMAL FOR TREATING OR PREVENTING DISEASE OF NERVOUS SYSTEM IN WHICH PATHOPHYSIOLOGY OF DISORDER INVOLVES EXCESSIVE RELEASE OF OF NEUROTRANSMITTER FROM NEURONAL CELLS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-06-06 US claimed
EP-0584088-B1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE RES (US) 1999-10-27 EP claimed
US-5837737-A MODULATOR OF NEUROTRANSMITTERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-11-17 US claimed
WO-1998048799-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO claimed
US-5741661-A SCREENING ASSAY CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-04-21 US claimed
US-5686495-A Substituted hydrazinedicarboximidamides and methods of use thereof CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-11-11 US claimed
EP-0524946-A4 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WITH IMIDAZOLE ANGIOTENSIN-II RECEPTOR ANTAGONISTS 1993-03-24 EP claimed
EP-0524946-A1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WITH IMIDAZOLE ANGIOTENSIN-II RECEPTOR ANTAGONISTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-03 EP claimed
WO-1992014697-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1992-09-03 WO claimed
EP-0479892-A1 FUSED-RING ARYL SUBSTITUTED IMIDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-15 EP claimed
WO-1991015206-A1 TREATMENT OF GLAUCOMA AND OCULAR HYPERTENSION WITH IMIDAZOLE ANGIOTENSIN-II RECEPTOR ANTAGONISTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-17 WO claimed
WO-1991014367-A1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WITH IMIDAZOLE ANGIOTENSIN-II RECEPTOR ANTAGONISTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-03 WO claimed
WO-1991000281-A2 FUSED-RING ARYL SUBSTITUTED IMIDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-10 WO claimed
EP-0010347-B1 NOVEL SUBSTITUTED OMEGA-AROYL(PROPIONYL OR BUTYRYL)-L-PROLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1983-11-09 EP claimed
US-4226775-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1980-10-07 US claimed
EP-0010347-A1 Novel substituted omega-aroyl(propionyl or butyryl)-L-prolines, pharmaceutical compositions containing them and processes for their preparation AMERICAN CYANAMID COMPANY (US) 1980-04-30 EP claimed