SCHEMBL8928212

SCHEMBL8928212

COc1ccc(OC)c(CCCNC(=O)C2CC2)c1

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.70
MTNR1B P49286 8/20 0.70
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
ADRB2 P07550 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
RECQL P46063 1/20 0.56
RXFP1 Q9HBX9 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
SCHEMBL8928245 0.86 MTNR1A (0.56) MTNR1AMTNR1BALDH1A1
SCHEMBL8021679 0.80 MTNR1A (0.87) MTNR1AMTNR1B
SCHEMBL8928239 0.80 KMT2A (0.65) ALDH1A1MAPTTSHR
SCHEMBL3346293 0.79 ALDH1A1 (0.57) MTNR1AMTNR1BALDH1A1LMNA
SCHEMBL8803860 0.79 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL8928226 0.79 MTNR1A (0.70) MTNR1AMTNR1BALDH1A1
SCHEMBL8928115 0.79 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL23576456 0.76 ALDH1A1 (0.61) MTNR1AMTNR1BALDH1A1MAPTTSHR
SCHEMBL32671561 0.76 ALDH1A1 (0.61) MTNR1AMTNR1BALDH1A1MAPTTSHR
SCHEMBL27678559 0.75 MTNR1A (0.54) MTNR1AMTNR1BALDH1A1MAPT

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 4 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
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