SCHEMBL8928231

SCHEMBL8928231

CCNC(=O)NCCCc1cccc(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.74
MTNR1B P49286 5/20 0.74
KMT2A Q03164 1/20 0.59
CNR1 P21554 1/20 0.56
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 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
SCHEMBL8928131 0.96 MTNR1A (0.68) MTNR1AMTNR1BKMT2ACNR1HDAC1
SCHEMBL17117195 0.88 MTNR1A (0.71) MTNR1AMTNR1BKMT2ACNR1
SCHEMBL8928085 0.88 MTNR1A (0.75) MTNR1AMTNR1BKMT2ACNR1HDAC1
SCHEMBL8928118 0.85 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL8928104 0.85 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL13725463 0.85 MTNR1A (0.79) MTNR1AMTNR1BKMT2AHDAC1HDAC6
SCHEMBL8928103 0.84 MTNR1A (0.69) MTNR1AMTNR1BKMT2ACNR1HDAC1
SCHEMBL29991337 0.83 MTNR1A (0.77) MTNR1AMTNR1BKMT2AHDAC1HDAC6
SCHEMBL28850813 0.83 MTNR1A (0.77) MTNR1AMTNR1BKMT2AHDAC1HDAC6
SCHEMBL8928119 0.83 MTNR1A (0.81) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5661185-A AN ALKOXYPHENYL-ALKYLUREA COMPOUND TREATING SLEEP DISORDER BRISTOL-MYERS SQUIBB CO. (US) 1997-08-26 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