SCHEMBL8928079

SCHEMBL8928079

CCCOc1cccc(CCCNC(=O)CCC)c1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.62
MTNR1B P49286 2/20 0.62
HPGD P15428 1/20 0.56
CYP2D6 P10635 2/20 0.55
CNR1 P21554 1/20 0.54
CNR2 P34972 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
SCHEMBL8928236 0.91 MTNR1A (0.63) MTNR1AMTNR1BCYP2D6
SCHEMBL18183659 0.89 HPGD (0.63) MTNR1AHPGDCYP2D6
SCHEMBL8928119 0.87 MTNR1A (0.81) MTNR1AMTNR1B
SCHEMBL8928128 0.85 MTNR1A (0.56) MTNR1AMTNR1BCNR1CNR2
SCHEMBL8928067 0.84 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL8928060 0.81 MTNR1A (0.79) MTNR1AMTNR1B
SCHEMBL21734283 0.80 HPGD (0.59) MTNR1AMTNR1BHPGDCYP2D6
SCHEMBL28000835 0.80 HPGD (0.59) MTNR1AMTNR1BHPGDCYP2D6
SCHEMBL12377082 0.80 CHRM2 (0.54) MTNR1AMTNR1BCYP2D6
SCHEMBL28569142 0.80 CNR1 (0.58) CYP2D6CNR1CNR2

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