SCHEMBL8928128

SCHEMBL8928128

CCCC(=O)NCCCc1cccc(OCC2CC2)c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.56
MTNR1B P49286 2/20 0.56
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
ACACB O00763 1/20 0.48
ACACA Q13085 1/20 0.48

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
SCHEMBL8928236 0.86 MTNR1A (0.63) MTNR1AMTNR1B
SCHEMBL8928079 0.85 MTNR1A (0.62) MTNR1AMTNR1BCNR1CNR2
SCHEMBL8928119 0.82 MTNR1A (0.81) MTNR1AMTNR1B
SCHEMBL4568828 0.80 PPARA (0.51) CNR1CNR2
SCHEMBL18183659 0.79 HPGD (0.63) MTNR1A
SCHEMBL8928067 0.79 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL8274392 0.78 CNR1 (0.45) MTNR1ACNR1CNR2
SCHEMBL3929685 0.77 KDM5A (0.48) MTNR1ACNR1CNR2ACACBACACA
SCHEMBL8928060 0.76 MTNR1A (0.79) MTNR1AMTNR1B
SCHEMBL2208238 0.76 ACACB (0.49) MTNR1AMTNR1BACACBACACA

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