SCHEMBL4180409

SCHEMBL4180409

C1=CN=c2c(ccc3c2=CCS3)N=C1

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
SCHEMBL11568727 0.72
SCHEMBL7627621 0.57 TRPA1 (0.37)
SCHEMBL6407543 0.52
SCHEMBL29394860 0.46 TRPA1 (0.32)
SCHEMBL30218263 0.46 TRPA1 (0.32)
SCHEMBL2398838 0.46 CYP19A1 (0.30)
SCHEMBL5144501 0.43
SCHEMBL5081705 0.42
SCHEMBL5081702 0.42
SCHEMBL5084742 0.42

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4115568-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US claimed
US-20090221560-A1 Pharmaceutical Formulation ACTAVIS GROUP PTC EHF 2009-09-03 US disclosed
US-7498433-B2 Process and intermediates for the preparation of olanzapine KRKA, TOVARNA ZDRAVIL, D.D. (SI) 2009-03-03 US disclosed
EP-1594879-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF OLANZAPINE KRKA TOVARNA ZDRAVIL D D NOVO (SI) 2008-10-22 EP disclosed
US-20060040921-A1 Process and intermediates for the preparation of olanzapine KRKA, TOVARNA ZDRAVIL D.D. (SI) 2006-02-23 US disclosed
EP-0685233-B1 Thieno[1,5]benzodiazepine for treating gastrointestinal conditions LILLY CO ELI (US) 2002-09-11 EP disclosed
EP-0685233-A3 Thieno[1,5]benzodiazepine for treating gastrointestinal conditions. LILLY CO ELI (US) 1996-04-03 EP disclosed
EP-0685233-A2 Thieno[1,5]benzodiazepine for treating gastrointestinal conditions ELI LILLY AND COMPANY (US) 1995-12-06 EP disclosed
US-5457101-A For gastrointestinal disorders; irritable bowel syndrome ELI LILLY AND COMPANY (US) 1995-10-10 US disclosed
US-4172831-A CENTRAL NERVOUS SYSTEM LILLY INDUSTRIES LIMITED (GB) 1979-10-30 US disclosed
US-4172831-A CENTRAL NERVOUS SYSTEM LILLY INDUSTRIES LIMITED (GB) 1979-10-30 US disclosed
US-4115568-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed
US-4115574-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed
US-4115568-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed
US-4115574-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed