SCHEMBL7697605

SCHEMBL7697605

O=C(NC[C@@H]1C[C@@H]1c1cccc2c1CCO2)C1CC1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 12/20 0.74
MTNR1A P48039 11/20 0.56
SLC9A1 P19634 1/20 0.50
DRD2 P14416 7/20 0.49
HTR2A P28223 7/20 0.49
DRD3 P35462 7/20 0.49

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
SCHEMBL6676722 1.00 MTNR1B (0.74) MTNR1BMTNR1ASLC9A1DRD2HTR2A
SCHEMBL6676720 1.00 MTNR1B (0.74) MTNR1BMTNR1ASLC9A1DRD2HTR2A
SCHEMBL6677242 0.93 MTNR1B (0.65) MTNR1BMTNR1ASLC9A1DRD2HTR2A
SCHEMBL19063469 0.87 MTNR1B (0.77) MTNR1BMTNR1ASLC9A1DRD2HTR2A
Tasimelteon SCHEMBL23499868 0.85 MTNR1B (1.00) MTNR1BMTNR1ASLC9A1DRD2HTR2A
Tasimelteon SCHEMBL3505912 0.85 MTNR1B (1.00) MTNR1BMTNR1ASLC9A1DRD2HTR2A
Tasimelteon SCHEMBL15142113 0.85 MTNR1B (1.00) MTNR1BMTNR1ASLC9A1DRD2HTR2A
Tasimelteon SCHEMBL3505909 0.85 MTNR1B (1.00) MTNR1BMTNR1ASLC9A1DRD2HTR2A
Tasimelteon SCHEMBL7702579 0.85 MTNR1B (1.00) MTNR1BMTNR1ASLC9A1DRD2HTR2A
Tasimelteon SCHEMBL15805116 0.85 MTNR1B (1.00) MTNR1BMTNR1ASLC9A1DRD2HTR2A

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-1082115-A4 HETEROCYCLIC CIS CYCLOPROPANE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2002-10-24 EP claimed
US-6214869-B1 SLEEP DISORDERS BRISTOL-MYERS SQUIBB 2001-04-10 US claimed
EP-1082115-A1 HETEROCYCLIC CIS CYCLOPROPANE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-03-14 EP claimed
WO-1999062515-A1 HETEROCYCLIC CIS CYCLOPROPANE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-09 WO claimed
EP-1082115-A4 HETEROCYCLIC CIS CYCLOPROPANE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2002-10-24 EP disclosed
US-6214869-B1 SLEEP DISORDERS BRISTOL-MYERS SQUIBB 2001-04-10 US disclosed
EP-1082115-A1 HETEROCYCLIC CIS CYCLOPROPANE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-03-14 EP disclosed
WO-1999062515-A1 HETEROCYCLIC CIS CYCLOPROPANE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-09 WO disclosed