SCHEMBL8928116

SCHEMBL8928116

C=CC(=O)NCCCc1cccc(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.71
MTNR1B P49286 6/20 0.71
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51

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
SCHEMBL8472239 0.92 MTNR1A (0.63) MTNR1AMTNR1BALDH1A1LMNACHRM2
SCHEMBL13725463 0.83 MTNR1A (0.79) MTNR1AMTNR1BHDAC1HDAC6KMT2A
SCHEMBL8928104 0.83 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL8928126 0.83 MTNR1A (0.78) MTNR1AMTNR1BHDAC1HDAC6KMT2A
SCHEMBL29991337 0.82 MTNR1A (0.77) MTNR1AMTNR1BHDAC1HDAC6KMT2A
SCHEMBL28850813 0.82 MTNR1A (0.77) MTNR1AMTNR1BHDAC1HDAC6KMT2A
SCHEMBL10364003 0.82 MTNR1A (0.59) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL8928118 0.81 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL8928085 0.81 MTNR1A (0.75) MTNR1AMTNR1BHDAC1HDAC6KMT2A
SCHEMBL27867629 0.81 MTNR1A (0.80) MTNR1AMTNR1BHDAC1HDAC6KMT2A

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