SCHEMBL8928122

SCHEMBL8928122

CCCC(=O)NCCOc1cccc(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.70
MTNR1A P48039 7/20 0.70
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL4634361 0.84 RECQL (0.69) MTNR1BMTNR1AMEN1KMT2AL3MBTL1
SCHEMBL24528927 0.81 MTNR1A (0.67) MTNR1BMTNR1A
SCHEMBL29722609 0.81 MTNR1A (0.67) MTNR1BMTNR1A
SCHEMBL8928119 0.78 MTNR1A (0.81) MTNR1BMTNR1A
SCHEMBL8928067 0.77 MTNR1A (0.74) MTNR1BMTNR1A
SCHEMBL18183659 0.77 HPGD (0.63) MTNR1A
SCHEMBL19002581 0.77 EPHX2 (0.80)
SCHEMBL8928243 0.77 MTNR1A (0.68) MTNR1BMTNR1AMEN1KMT2A
SCHEMBL1108079 0.77 KMT2A (0.67) MEN1KMT2AL3MBTL1
SCHEMBL19624756 0.77 MTNR1A (0.60) MTNR1BMTNR1AMEN1KMT2AL3MBTL1

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-5541228-A Melatonergic agents BRISTOL-MYERS SQUIBB CO. (US) 1996-07-30 US claimed
EP-0706994-A1 Melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-17 EP claimed
US-5661185-A AN ALKOXYPHENYL-ALKYLUREA COMPOUND TREATING SLEEP DISORDER BRISTOL-MYERS SQUIBB CO. (US) 1997-08-26 US disclosed
US-5541228-A Melatonergic agents BRISTOL-MYERS SQUIBB CO. (US) 1996-07-30 US disclosed
EP-0706994-A1 Melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-17 EP disclosed