SCHEMBL8928193

SCHEMBL8928193

CCCC(=O)NCCCc1cccc(OC)c1OC

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.55
MTNR1B P49286 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
SCHEMBL8928101 0.83 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL8928100 0.83 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL18183555 0.81 CA12 (0.60) MTNR1AMTNR1B
SCHEMBL7292858 0.81 HPGD (0.54) MTNR1AMTNR1B
SCHEMBL6485062 0.77 CA12 (0.56) MTNR1AMTNR1B
SCHEMBL13570066 0.77 ALOX5 (0.60)
SCHEMBL14229925 0.77 HPGD (0.55)
SCHEMBL8928115 0.77 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL17150039 0.76 CA12 (0.61) MTNR1AMTNR1B
SCHEMBL17335848 0.76 HPGD (0.68)

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