SCHEMBL6947148

SCHEMBL6947148

COc1ccc2c(c1)C(CCN(C(C)=O)C(C)=O)CN2S(=O)(=O)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.54
MTNR1A P48039 13/20 0.39
MTNR1B P49286 11/20 0.39
NQO2 P16083 9/20 0.39
NOTUM Q6P988 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL7129512 0.86 MTNR1A (0.54) HTR6MTNR1AMTNR1BNQO2
SCHEMBL6954008 0.72 HTR6 (0.47) HTR6
SCHEMBL13947543 0.71 HTR6 (0.55) HTR6
SCHEMBL13240022 0.71 HTR6 (0.55) HTR6
SCHEMBL13947710 0.71 HTR6 (0.60) HTR6
SCHEMBL13964619 0.70 HTR6 (0.62) HTR6
SCHEMBL5502315 0.70 HTR6 (1.00) HTR6
SCHEMBL14262595 0.69 HTR6 (0.58) HTR6
SCHEMBL13946960 0.69 HTR6 (0.66) HTR6
SCHEMBL13368569 0.69 HTR6 (0.71) HTR6MTNR1AMTNR1B

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
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
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