SCHEMBL8928243

SCHEMBL8928243

COc1cccc(OCCNC(=O)C2CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.68
MTNR1B P49286 8/20 0.68
NPC1 O15118 1/20 0.61
PKM P14618 1/20 0.61
EPHX2 P34913 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 1/20 0.59
KMT2A Q03164 2/20 0.56
MEN1 O00255 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
SCHEMBL7409264 0.80 SMN1; SMN2 (0.68) MTNR1AMTNR1BNPC1PKMEPHX2
SCHEMBL28382028 0.80 KMT2A (0.55) MTNR1AMTNR1BNPC1PKMEPHX2
SCHEMBL23119199 0.80 NPC1 (0.75) MTNR1AMTNR1BNPC1PKMEPHX2
SCHEMBL8928226 0.79 MTNR1A (0.70) MTNR1AMTNR1BPKMALDH1A1
SCHEMBL9486768 0.79 MEN1 (0.62) MTNR1AMTNR1BNPC1PKMEPHX2
SCHEMBL8928078 0.78 MTNR1A (0.65) MTNR1AMTNR1BPKMKMT2A
SCHEMBL9730574 0.78 NPC1 (0.77) MTNR1AMTNR1BNPC1PKMEPHX2
SCHEMBL23050851 0.77 MTNR1A (1.00) MTNR1AMTNR1BKMT2A
SCHEMBL8928122 0.77 MTNR1B (0.70) MTNR1AMTNR1BKMT2AMEN1
SCHEMBL17842262 0.77 RAB9A (0.75) MTNR1AMTNR1BNPC1PKMEPHX2

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