SCHEMBL6676753

SCHEMBL6676753

CC(C)C(=O)NCC1CC1c1cccc2c1OCO2

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 15/20 0.61
MTNR1A P48039 14/20 0.61
DRD2 P14416 4/20 0.47
HTR2A P28223 3/20 0.47
DRD3 P35462 3/20 0.47
MGAM O43451 1/20 0.43
AMY1A P0DUB6 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43

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
SCHEMBL6676756 1.00 MTNR1B (0.61) MTNR1BMTNR1ADRD2HTR2ADRD3
SCHEMBL6682560 0.92 MTNR1A (0.60) MTNR1BMTNR1ADRD2
SCHEMBL6682562 0.92 MTNR1A (0.60) MTNR1BMTNR1ADRD2
SCHEMBL6676704 0.88 MTNR1A (0.57) MTNR1BMTNR1ADRD2HTR2ADRD3
SCHEMBL6676706 0.88 MTNR1A (0.57) MTNR1BMTNR1ADRD2HTR2ADRD3
SCHEMBL6678547 0.85 MTNR1B (0.67) MTNR1BMTNR1ADRD2HTR2ADRD3
SCHEMBL6678551 0.85 MTNR1B (0.67) MTNR1BMTNR1ADRD2HTR2ADRD3
SCHEMBL6676149 0.84 MTNR1B (0.60) MTNR1BMTNR1ADRD2MGAMAMY1A
SCHEMBL6676154 0.84 MTNR1B (0.60) MTNR1BMTNR1ADRD2MGAMAMY1A
SCHEMBL6676746 0.83 MTNR1B (0.60) MTNR1BMTNR1ADRD2HTR2ADRD3

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