SCHEMBL6946915

SCHEMBL6946915

CCOC(=O)n1c(C(C)=O)c(CCNC(C)=O)c2cc(OC)ccc21

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 16/20 0.59
▸ MTNR1B P49286 16/20 0.59
▸ NQO2 P16083 5/20 0.59
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ MDM2 Q00987 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49

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
SCHEMBL26619104 0.76 ATM (0.54) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL30644025 0.76 ATM (0.54) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL8688610 0.74 MTNR1A (0.75) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL18800052 0.74 MTNR1A (0.64) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL15428004 0.73 NQO2 (1.00) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL28649300 0.73 MTNR1A (0.49) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL6193835 0.72 MTNR1A (0.66) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL29134983 0.71 MTNR1A (0.55) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL30704310 0.71 MTNR1A (0.55) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL23950124 0.71 MTNR1A (0.65) MTNR1AMTNR1BNQO2KDM4EALDH1A1

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
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