SCHEMBL4591232

SCHEMBL4591232

C=CCC1=NC=C[N]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
SCHEMBL4591184 0.63
SCHEMBL4589598 0.62
SCHEMBL278205 0.59
SCHEMBL3127322 0.59
SCHEMBL5710530 0.56
SCHEMBL10520401 0.54 GABRA1 (0.33)
SCHEMBL1465555 0.54 CCNB2 (0.30)
SCHEMBL19820369 0.54
SCHEMBL5831274 0.54 ALDH1A1 (0.33)
SCHEMBL11119104 0.54

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-11 US claimed
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MEYERS SQUIBB COMPANY (US) 2018-08-30 US claimed
WO-2017040450-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO claimed
US-6770667-B1 N-((IMIDAZOLYL)-PHENYL)-FLUORENE-1-CARBOXAMIDE DERIVATIVES; 5-HYDROXYTRYPTAMINE (5-HT) ANTAGONISTS; PSYCHOLOGICAL, NERVOUS SYSTEM, EATING, BRAIN AND SLEEP DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-03 US claimed
EP-0582829-B1 9-[(substituted glycyl)amido]-6-demethyl-6-deoxytetracyclines as antibiotic agents AMERICAN CYANAMID CO (US) 2001-09-12 EP claimed
US-5550233-A AUTOIMMUNE DISEASES; PREVENTION OF TRANSPLANT REJECTION MERCK & CO., INC. (US) 1996-08-27 US claimed
US-5495031-A Process for the production of 7-(substituted)-9-[(substituted glycyl)amido]-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1996-02-27 US claimed
US-5442059-A Antibiotics for mammalian and veterninary diseases AMERICAN CYANAMID COMPANY (US) 1995-08-15 US claimed
EP-0361317-B1 Pyridoindole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1995-04-05 EP claimed
CN-1087626-A The glycyl that novel 7-(replacement)-8-(replacement)-9-[(replaces) amido]-6-demethyl-6-deoxidation tsiklomitsin AMERICAN CYANAMID CO (US) 1994-06-08 CN claimed
EP-0582829-A1 9-(substituted glycyl) amido - 6-demethyl-6-deoxytetracyclines as antibiotic agents AMERICAN CYANAMID COMPANY (US) 1994-02-16 EP claimed
US-5173493-A For treatment or prevention of nausea or vomiting FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-12-22 US claimed
US-5141945-A 5-Hydroxytryptamine antagonists, treatment or prevention of nausea and vomiting FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-25 US claimed
US-4992447-A Asthma PFIZER INC. (US) 1991-02-12 US claimed
EP-0361317-A2 Pyridoindole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-04-04 EP claimed
US-4853392-A Fused 1,4-dihydropyridines as antiallergy and antiinflammatory agents PFIZER INC. (US) 1989-08-01 US claimed
US-4140858-A 3-(1H-imidazol-1-ylmethyl)-2-(disubstitutedaminomethyl)indoles and a method for their production WARNER-LAMBERT COMPANY (US) 1979-02-20 US claimed
JP-63033377-A None JP disclosed
US-4399137-A 6-Imidazol-1-yl-3-hydrazino-pyridazines, their preparation and antihypertensive use BASF AKTIENGESELLSCHAFT (DE) 1983-08-16 US disclosed
US-4140858-A 3-(1H-imidazol-1-ylmethyl)-2-(disubstitutedaminomethyl)indoles and a method for their production WARNER-LAMBERT COMPANY (US) 1979-02-20 US disclosed