SCHEMBL6943394

SCHEMBL6943394

COc1ccc2[nH]c(C(=O)C3CCCCC3)c(CCNC(C)=O)c2c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.72
MTNR1B P49286 15/20 0.72
KDM4E B2RXH2 2/20 0.70
ALDH1A1 P00352 2/20 0.70
HPGD P15428 2/20 0.70
HSD17B10 Q99714 2/20 0.70
POLB P06746 1/20 0.70
MDM2 Q00987 1/20 0.70
NQO2 P16083 3/20 0.66
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
TSHR P16473 1/20 0.62

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
SCHEMBL3221458 0.84 KDM4E (0.84) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL8946996 0.84 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL15428037 0.83 KDM4E (1.00) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL15428075 0.82 KDM4E (0.81) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL15427782 0.81 KDM4E (0.79) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL7137050 0.81 ALDH1A1 (0.62) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL15427770 0.80 KDM4E (0.78) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL15428004 0.79 NQO2 (1.00) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL21075898 0.78 MTNR1A (0.92) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL31530480 0.78 MTNR1A (0.78) MTNR1AMTNR1BKDM4EALDH1A1HPGD

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-A1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS CEMAF (FR) 1998-07-08 EP claimed
WO-1997006140-A1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS CEMAF (FR) 1997-02-20 WO 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