SCHEMBL7797256

SCHEMBL7797256

CC(=O)NCCc1coc2ccc3c(c12)CCCO3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 1.00
MTNR1B P49286 10/20 0.66
HTR2C P28335 1/20 0.49
NQO2 P16083 2/20 0.46

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
SCHEMBL8162658 0.89 MTNR1A (0.80) MTNR1AMTNR1BHTR2C
SCHEMBL8169118 0.89 MTNR1A (0.80) MTNR1AMTNR1BHTR2C
SCHEMBL8173300 0.88 MTNR1A (0.78) MTNR1AMTNR1BHTR2C
SCHEMBL8170080 0.88 MTNR1A (0.78) MTNR1AMTNR1BHTR2C
SCHEMBL8169375 0.87 MTNR1A (0.77) MTNR1AMTNR1BHTR2C
SCHEMBL8175008 0.87 MTNR1A (0.77) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL8175004 0.86 MTNR1A (0.76) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL8169388 0.86 MTNR1A (0.76) MTNR1AMTNR1BHTR2C
SCHEMBL8401104 0.86 MTNR1A (0.76) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL8169871 0.86 MTNR1A (0.75) MTNR1AMTNR1BNQO2

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
US-5998461-A SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1999-12-07 US claimed
CN-1283455-A Application of black fading hormone and black fading ligand in medicinal compsns for prevention and treatment of gastrointestional tract disease ADIR (FR) 2001-02-14 CN disclosed
EP-1064941-A1 Use of melatoninergic ligands for obtaining pharmaceutical compositions for the prevention or the treatment of gastrointestinal pathologies ADIR ET COMPAGNIE (FR) 2001-01-03 EP disclosed
US-6071946-A FOR TREATING DISORDERS OF THE MELATONINERGIC SYSTEM, SLEEP DISORDERS, CIRCADIAN RHYTHM DISORDERS ADIR ET COMPAGNIE (FR) 2000-06-06 US disclosed
US-5998461-A SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1999-12-07 US disclosed