SCHEMBL677434

SCHEMBL677434

c1nc(C23CCC(CC2)CC3)n[nH]1

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
SCHEMBL23674279 0.70
SCHEMBL19344897 0.65
SCHEMBL23689691 0.65
SCHEMBL19344901 0.65 ADRA2A (0.30)
SCHEMBL32686473 0.63
SCHEMBL21293547 0.61
SCHEMBL22380665 0.60
SCHEMBL7854666 0.59
SCHEMBL32686538 0.59
SCHEMBL22402987 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275584-A1 PREVENTION AND TREATMENT OF INFLAMMATION-INDUCED AND/OR IMMUNE-MEDIATED BONE LOSS ONEPHARM RESEARCH AND DEVELOPMENT GMBH (AT) 2011-11-10 US disclosed
US-8026264-B2 Triazole derivatives as inhibitors of 11-β hydroxysteroid dehydrogenase-1 MERCK SHARP AND DOHME CORP. (US) 2011-09-27 US disclosed
EP-1638947-B1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE-1 MERCK SHARP & DOHME (US) 2010-08-04 EP disclosed
US-20100087413-A1 Prevention and treatment of inflammation-induced and/or immune-mediated bone loss ONEPHARM RESEARCH AND DEVELOPMENT GMBH (AT) 2010-04-08 US disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
WO-2009073460-A2 INHIBITION OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 FOR OCULAR NEUROPROTECTION BAUSCH & LOMB INCORPORATED (US) 2009-06-11 WO disclosed
EP-2036548-A1 Prevention and treatment of inflammation-induced and/or immune-mediated bone loss onepharm Research & Development GmbH (AT) 2009-03-18 EP disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 US disclosed
EP-1638947-A4 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO INC (US) 2007-10-31 EP disclosed
EP-1581515-B1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO INC (US) 2007-10-10 EP disclosed
EP-1663185-A1 PREVENTION AND TREATMENT OF INFLAMMATION-INDUCED AND/OR IMMUNE-MEDIATED BONE LOSS Bionetworks GmbH (DE) 2006-06-07 EP disclosed
EP-1638947-A2 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE-1 Merck & Co., Inc. (US) 2006-03-29 EP disclosed
EP-1581515-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 Merck & Co., Inc. (US) 2005-10-05 EP disclosed
US-20050154038-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME LLC 2005-07-14 US disclosed
WO-2005027882-A1 PREVENTION AND TREATMENT OF INFLAMMATION-INDUCED AND/OR IMMUNE-MEDIATED BONE LOSS BIONETWORKS GMBH (DE) 2005-03-31 WO disclosed
US-6849636-B2 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2005-02-01 US disclosed
WO-2004106294-A2 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2004-12-09 WO disclosed
WO-2004058730-A2 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2004-07-15 WO disclosed
WO-2004058741-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2004-07-15 WO disclosed
US-20040133011-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME LLC 2004-07-08 US disclosed