SCHEMBL8928119

SCHEMBL8928119

CCCC(=O)NCCCc1cccc(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.81
MTNR1B P49286 3/20 0.81

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
SCHEMBL8928067 0.96 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL8928060 0.94 MTNR1A (0.79) MTNR1AMTNR1B
SCHEMBL24528927 0.92 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL29722609 0.92 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL8928175 0.90 MTNR1A (0.73) MTNR1AMTNR1B
SCHEMBL8928118 0.89 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL8928236 0.88 MTNR1A (0.63) MTNR1AMTNR1B
SCHEMBL8928079 0.87 MTNR1A (0.62) MTNR1AMTNR1B
SCHEMBL27867629 0.86 MTNR1A (0.80) MTNR1AMTNR1B
SCHEMBL8928076 0.86 CNR1 (0.62) MTNR1AMTNR1B

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
US-5624743-A Ink jet transparencies XEROX CORPORATION (US) 1997-04-29 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