SCHEMBL6677522

SCHEMBL6677522

O=C(CC(F)(F)F)NC[C@@H]1C[C@H]1c1cccc2c1OCCO2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 11/20 0.55
▸ DRD2 P14416 5/20 0.50
▸ MTNR1A P48039 12/20 0.42
▸ HTR2A P28223 2/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ KDM1A O60341 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 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
SCHEMBL6677519 1.00 MTNR1B (0.55) MTNR1BDRD2MTNR1AHTR2ADRD3
SCHEMBL6676693 0.87 DRD2 (0.52) MTNR1BDRD2MTNR1AHTR2ADRD3
SCHEMBL6676687 0.87 DRD2 (0.52) MTNR1BDRD2MTNR1AHTR2ADRD3
SCHEMBL6677288 0.85 MTNR1B (0.74) MTNR1BDRD2MTNR1A
SCHEMBL6677292 0.85 MTNR1B (0.74) MTNR1BDRD2MTNR1A
SCHEMBL6676242 0.83 MTNR1B (0.61) MTNR1BDRD2MTNR1A
SCHEMBL6676247 0.83 MTNR1B (0.61) MTNR1BDRD2MTNR1A
SCHEMBL6676166 0.82 MTNR1B (0.57) MTNR1BDRD2MTNR1A
SCHEMBL6676164 0.82 MTNR1B (0.57) MTNR1BDRD2MTNR1A
SCHEMBL6682797 0.82 MTNR1B (0.57) MTNR1BDRD2MTNR1AHTR2ADRD3

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 5 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
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
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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