SCHEMBL4690876

SCHEMBL4690876

CC(=O)NCCC1=C(c2ccccc2)Cc2ccc3c(c21)CCO3

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.80
MTNR1B P49286 16/20 0.80

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL1567559 0.91 MTNR1A (0.70) MTNR1AMTNR1B
SCHEMBL1566620 0.90 MTNR1A (0.66) MTNR1AMTNR1B
SCHEMBL1566624 0.81 MTNR1A (0.55) MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL4691174 0.79 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL29742182 0.76 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL4685349 0.74 MTNR1A (0.47) MTNR1AMTNR1B
SCHEMBL1566672 0.73 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL1387225 0.69 MTNR1A (0.87) MTNR1AMTNR1B
SCHEMBL123755 0.67 MTNR1B (1.00) MTNR1AMTNR1B
SCHEMBL124798 0.67 MTNR1B (0.67) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100443480-C Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-12-17 CN disclosed
CN-100441574-C Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-12-10 CN disclosed
EP-0885210-B2 Tricylic compounds having binding affinity for melatonin receptors, their production and use TAKEDA PHARMACEUTICAL (JP) 2008-06-18 EP disclosed
CN-1900067-A Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2007-01-24 CN disclosed
CN-1727339-A Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-01 CN disclosed
EP-1550655-A1 Bicyclic intermediates Takeda Pharmaceutical Company Limited (JP) 2005-07-06 EP disclosed
EP-0885210-B1 Tricylic compounds having binding affinity for melatonin receptors, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-06-12 EP disclosed
EP-1199304-A1 Bicyclic compounds and pharmaceutical composition containing tricyclic compound for treating or preventing sleep disorders Takeda Chemical Industries, Ltd. (JP) 2002-04-24 EP disclosed
US-6218429-B1 TREATING MELATONIN RELATED DISORDERS (E.G. CIRCARDIAN RHYTHMS, SLEEP-AWAKE CYCLES, TIME ZONE CHANGES, SLEEP DISORDERS) TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-17 US disclosed
US-6034239-A BINDIG TO MELATONIN RECEPTORS; SLEEP DISORDERS; GLANDULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed
CN-1212691-A Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-03-31 CN disclosed