SCHEMBL7273232

SCHEMBL7273232

Cc1cc(N)[c]c(O)n1

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
SCHEMBL7265308 0.76
SCHEMBL2079195 0.67
SCHEMBL31211070 0.65 NOS3 (0.39)
SCHEMBL29281964 0.65 HSP90AA1 (0.47)
SCHEMBL30679721 0.65 HSP90AA1 (0.47)
SCHEMBL1279214 0.64 KDM4E (0.54)
SCHEMBL5844082 0.64 ALDH1A1 (0.43)
SCHEMBL29512854 0.64 ALDH1A1 (0.43)
SCHEMBL25009708 0.62 POLB (0.46)
SCHEMBL28721259 0.62 MAPT (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5401722-A Peptide analogues MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-03-28 US disclosed
US-5378691-A Amino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-01-03 US disclosed
US-5328916-A Renin inhibitors, hypotensive agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-12 US disclosed
US-5215966-A For treatment of hypertension, hyperaldosteronism and cardiac insufficiency MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 US disclosed
US-5215967-A AMINOACID DERIVATIVES INHIBITING RENIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 US disclosed
EP-0300287-B1 PROCESS FOR THE REDUCTION OF KETONES MERCK PATENT GmbH (DE) 1993-01-07 EP disclosed
US-5147857-A Enzyme inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-09-15 US disclosed
EP-0501280-A2 Renin-inhibiting peptide analogues MERCK PATENT GmbH (DE) 1992-09-02 EP disclosed
EP-0499080-A2 Aminoacid derivatibes MERCK PATENT GmbH (DE) 1992-08-19 EP disclosed
EP-0490259-A2 Aminoacid and peptid derivatives with renin inhibiting properties MERCK PATENT GmbH (DE) 1992-06-17 EP disclosed
US-4829053-A Amino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-09 US disclosed
EP-0309841-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1989-04-05 EP disclosed
EP-0300287-A2 Process for the reduction of ketones MERCK PATENT GmbH (DE) 1989-01-25 EP disclosed
EP-0292800-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1988-11-30 EP disclosed
EP-0286813-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1988-10-19 EP disclosed
EP-0284942-A2 Amino-acid derivatives MERCK PATENT GmbH (DE) 1988-10-05 EP disclosed
EP-0272444-A2 Renin-inhibiting peptides MERCK PATENT GmbH (DE) 1988-06-29 EP disclosed
EP-0264795-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1988-04-27 EP disclosed
EP-0262318-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1988-04-06 EP disclosed
EP-0249096-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1987-12-16 EP disclosed