SCHEMBL7129512

SCHEMBL7129512

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

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.54
MTNR1B P49286 14/20 0.54
NQO2 P16083 11/20 0.54
HTR6 P50406 1/20 0.48
HTR2C P28335 1/20 0.45
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL6947148 0.86 HTR6 (0.54) MTNR1AMTNR1BNQO2HTR6
SCHEMBL14493795 0.83 MTNR1A (0.62) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL6943395 0.80 MTNR1A (0.61) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL1310006 0.77 MTNR1A (0.54) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL13240022 0.75 HTR6 (0.55) HTR6TRPV1
SCHEMBL13947543 0.75 HTR6 (0.55) HTR6
SCHEMBL6567004 0.74 MTNR1A (0.68) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL13964619 0.74 HTR6 (0.62) HTR6
Hydrochloric Acid SCHEMBL5425189 0.73 MTNR1A (0.67) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL14262595 0.73 HTR6 (0.58) HTR6

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 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