SCHEMBL6676397

SCHEMBL6676397

O=C(NC[C@@H]1C[C@H]1c1cccc2ccoc12)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 18/20 0.61
MTNR1A P48039 17/20 0.61
SLC6A4 P31645 1/20 0.39

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
SCHEMBL6676394 1.00 MTNR1B (0.61) MTNR1BMTNR1ASLC6A4
SCHEMBL6677678 0.85 MTNR1B (0.64) MTNR1BMTNR1ASLC6A4
SCHEMBL6677674 0.85 MTNR1B (0.64) MTNR1BMTNR1ASLC6A4
SCHEMBL6679783 0.85 MTNR1B (0.53) MTNR1BMTNR1ASLC6A4
SCHEMBL6679785 0.85 MTNR1B (0.53) MTNR1BMTNR1ASLC6A4
SCHEMBL6682138 0.81 MTNR1B (0.65) MTNR1BMTNR1ASLC6A4
SCHEMBL6682142 0.81 MTNR1B (0.65) MTNR1BMTNR1ASLC6A4
SCHEMBL6682371 0.81 MTNR1B (0.59) MTNR1BMTNR1ASLC6A4
SCHEMBL6679663 0.78 MTNR1B (0.55) MTNR1BMTNR1ASLC6A4
SCHEMBL6780444 0.76 MTNR1A (1.00) MTNR1BMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027043-B1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-11-10 EP disclosed
US-6060506-A FOR TREATMENT OF SLEEP DISORDERS, CIRCADIAN RHYTHM DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-09 US disclosed
US-5981571-A USEFUL AS MELATONERGIC AGENTS IN THE TREATMENT OF SLEEP DISORDERS, SEASONAL DEPRESSION, SHIFTS IN CIRCADIAN CYCLES, MELANCHOLIA, STRESS, APPETITE REGULATION, BENIGN PROSTATIC HYPERPLASIA AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-11-09 US disclosed