SCHEMBL8928226

SCHEMBL8928226

COc1cccc(CCCNC(=O)C2CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.70
MTNR1B P49286 8/20 0.70
PKM P14618 1/20 0.56
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL8928078 0.96 MTNR1A (0.65) MTNR1AMTNR1BPKM
SCHEMBL8928075 0.91 MTNR1A (0.62) MTNR1AMTNR1BALDH1A1
SCHEMBL8928250 0.91 MTNR1A (0.62) MTNR1AMTNR1BPKMALDH1A1
SCHEMBL8928118 0.83 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL8928104 0.82 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL13725463 0.82 MTNR1A (0.79) MTNR1AMTNR1BALDH1A1
SCHEMBL28850813 0.81 MTNR1A (0.77) MTNR1AMTNR1B
SCHEMBL29991337 0.81 MTNR1A (0.77) MTNR1AMTNR1B
SCHEMBL8928239 0.81 KMT2A (0.65) ALDH1A1
SCHEMBL8928085 0.80 MTNR1A (0.75) 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 8 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
JP-8176080-A None JP disclosed
WO-1997048701-A1 4,1-BENZOXAZEPINES OR 4,1-BENZOTHIAZEPINES AND THEIR USE AS SQUALENE SYNTHETASE INHIBITORS PFIZER INC. (US) 1997-12-24 WO disclosed
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
JP-H08176080-A NEW MELATONERGIC AGENT BRISTOL MYERS SQUIBB CO 1996-07-09 JP disclosed
EP-0706994-A1 Melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-17 EP disclosed