SCHEMBL2109164

SCHEMBL2109164

O=[C]n1cnnn1

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
SCHEMBL15574048 0.72
Hydrochloric Acid SCHEMBL1032958 0.70
SCHEMBL28858632 0.61
SCHEMBL3628644 0.61
SCHEMBL6536581 0.59 MEN1 (0.39)
SCHEMBL2537525 0.56
SCHEMBL28523954 0.55
SCHEMBL150307 0.55
SCHEMBL1922969 0.53
SCHEMBL9026071 0.53 MEN1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536189-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US claimed
US-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS COSTANZO MICHAEL J (US) 2012-06-28 US claimed
EP-2224803-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2010-09-08 EP claimed
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2009-06-25 US claimed
WO-2009067202-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-28 WO claimed
EP-0108036-A1 Benzopyranones CIBA-GEIGY AG (CH) 1984-05-09 EP claimed
EP-3129345-B1 METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATORS (PAMS) AND USES THEREOF SANFORD BURNHAM MED RES INST (US) 2023-03-15 EP disclosed
US-10377695-B2 Metabotropic glutamate receptor positive allosteric modulators (PAMS) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2019-08-13 US disclosed
US-10099993-B2 Metabotropic glutamate receptor positive allosteric modulators (PAMS) and uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-10-16 US disclosed
US-20180194710-A1 Metabotropic Glutamate Receptor Positive Allosteric Modulators (PAMS) and Uses Thereof Sanford Burnham Prebys Medical Discovery Institute 2018-07-12 US disclosed
US-9782407-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-10-10 US disclosed
US-9765030-B2 Benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-09-19 US disclosed
EP-1848430-B1 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-08-02 EP disclosed
US-5693810-A ENZYME INHIBITORS OF TESTOSTERONE-5ALPHA-REDUCTASE TO PREVENT OR LESSEN SYMPTOMS OF DIHYDROTESTOSTERONE-RELATED HYPERANDROGENIC CONDITIONS, E.G. PROSTATE PROBLEMS, SKIN DISORDERS MERCK & CO., INC. (US) 1997-12-02 US disclosed
EP-0663924-A4 17-g(b)-CARBOXANILIDES OF 4-AZA-5-g(a)-ANDROSTAN-3-ONES AS 5-g(a)-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-10-04 EP disclosed
EP-0663924-A1 17$g(b)-CARBOXANILIDES OF 4-AZA-5$g(a)-ANDROSTAN-3-ONES AS 5$g(a)-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-07-26 EP disclosed
WO-1994007861-A1 17β-CARBOXANILIDES OF 4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1994-04-14 WO disclosed
EP-0108036-A1 Benzopyranones CIBA-GEIGY AG (CH) 1984-05-09 EP disclosed
US-4438277-A Hydronaphthalene derivatives SANKYO COMPANY, LIMITED (JP) 1984-03-20 US disclosed
US-4361515-A Antihyperlipemic dihydro-ML-236B derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1982-11-30 US disclosed