SCHEMBL8928236

SCHEMBL8928236

CCCC(=O)NCCCc1cccc(OCC)c1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.63
MTNR1B P49286 2/20 0.63
CYP2D6 P10635 1/20 0.53

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
SCHEMBL8928079 0.91 MTNR1A (0.62) MTNR1AMTNR1BCYP2D6
SCHEMBL8928119 0.88 MTNR1A (0.81) MTNR1AMTNR1B
SCHEMBL8928128 0.86 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL8928067 0.85 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL18183659 0.85 HPGD (0.63) MTNR1ACYP2D6
SCHEMBL8928060 0.82 MTNR1A (0.79) MTNR1AMTNR1B
SCHEMBL21734283 0.81 HPGD (0.59) MTNR1AMTNR1BCYP2D6
SCHEMBL24528927 0.80 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL29722609 0.80 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL28569153 0.79 PPARA (0.55) MTNR1AMTNR1BCYP2D6

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 6 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
WO-1997025469-A1 TEXTILES BLEACHING/BRIGHTENING NOVO NORDISK A/S (DK) 1997-07-17 WO 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