SCHEMBL6677292

SCHEMBL6677292

CCC(=O)NCC1CC1c1cccc2c1OCCO2

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 18/20 0.74
▸ MTNR1A P48039 18/20 0.57
▸ DRD2 P14416 1/20 0.52

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
SCHEMBL6677288 1.00 MTNR1B (0.74) MTNR1BMTNR1ADRD2
SCHEMBL6676242 0.91 MTNR1B (0.61) MTNR1BMTNR1ADRD2
SCHEMBL6676247 0.91 MTNR1B (0.61) MTNR1BMTNR1ADRD2
SCHEMBL6678551 0.90 MTNR1B (0.67) MTNR1BMTNR1ADRD2
SCHEMBL6678547 0.90 MTNR1B (0.67) MTNR1BMTNR1ADRD2
SCHEMBL6676166 0.88 MTNR1B (0.57) MTNR1BMTNR1ADRD2
SCHEMBL6676164 0.88 MTNR1B (0.57) MTNR1BMTNR1ADRD2
SCHEMBL6682797 0.87 MTNR1B (0.57) MTNR1BMTNR1ADRD2
SCHEMBL6682799 0.87 MTNR1B (0.57) MTNR1BMTNR1ADRD2
Tasimelteon SCHEMBL23499868 0.85 MTNR1B (1.00) MTNR1BMTNR1ADRD2

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 8 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 claimed
EP-1027043-A4 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2002-02-20 — — EP claimed
EP-1027043-A1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS Bristol-Myers Squibb Company (US) 2000-08-16 — — EP claimed
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 claimed
WO-1998025606-A1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-18 — — WO claimed
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
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