SCHEMBL6943395

SCHEMBL6943395

COc1ccc2c(c1)C(CCNC(C)=O)CN2C(C)=O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.61
MTNR1B P49286 15/20 0.61
NQO2 P16083 13/20 0.61
HTR2C P28335 1/20 0.50

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
SCHEMBL1310006 0.87 MTNR1A (0.54) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL14493795 0.87 MTNR1A (0.62) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL7131048 0.83 MTNR1A (0.52) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL7129512 0.80 MTNR1A (0.54) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL6946163 0.79 MTNR1A (0.52) MTNR1AMTNR1BNQO2
SCHEMBL6567004 0.79 MTNR1A (0.68) MTNR1AMTNR1BNQO2HTR2C
Hydrochloric Acid SCHEMBL5425189 0.78 MTNR1A (0.67) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL4260242 0.77 MTNR1A (0.65) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL8886211 0.76 MTNR1A (0.64) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL4685402 0.76 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0851855-B9 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS MACEF (FR) 2003-05-21 EP claimed
EP-0851855-B1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS MACEF (FR) 2002-06-05 EP claimed
EP-0851855-B9 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS MACEF (FR) 2003-05-21 EP disclosed
EP-0851855-B1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS MACEF (FR) 2002-06-05 EP disclosed
US-6140372-A N-(2-(2-ACETYL-7-METHOXYNAPHTH-1-YL)ETHYL)ACETAMIDE; SEDATIVES; MELATONIN DISORDERS; DRUGS; COSMETICS; ANTIDEPRESSANTS; PSYCHIATRIC DISORDERS, E.G., STRESS, ANXIOLYTIC AGENTS, INSOMNIA, SCHIZOPHRENIA, PSYCHOSIS CEMAF AND LABORATORIES BESINS ISOVESCO S.A. (FR) 2000-10-31 US disclosed
US-6004991-A COMPOUNDS FOR COSMETICS WITH ENANTIOMORPHS CEMAF AND LABORATOIRES BESINS ISCOVESCO S.A. (FR) 1999-12-21 US disclosed
EP-0851855-A1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS CEMAF (FR) 1998-07-08 EP disclosed
WO-1997006140-A1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS CEMAF (FR) 1997-02-20 WO disclosed