Acetylserotonin

Acetylserotonin

SCHEMBL7569197

[2H]CC(=O)NCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.83

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 4/20 0.83
KDM4E B2RXH2 4/20 0.83
ALDH1A1 P00352 3/20 0.83
CYP2D6 P10635 3/20 0.83
NOTUM Q6P988 3/20 0.83
NPSR1 Q6W5P4 2/20 0.83
CYP1A2 P05177 2/20 0.83
CYP3A4 P08684 2/20 0.83
HPGD P15428 2/20 0.83
BLM P54132 2/20 0.83
MAPT P10636 1/20 0.83
IDO1 P14902 1/20 0.83
TDP1 Q9NUW8 2/20 0.65
LMNA P02545 1/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
HTR2C P28335 1/20 0.65
MTNR1A P48039 5/20 0.63
MTNR1B P49286 5/20 0.63
TRPV1 Q8NER1 3/20 0.63

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
Acetylserotonin SCHEMBL30295379 0.91 SPR (1.00) SPRKDM4EALDH1A1CYP2D6NOTUM
Acetylserotonin SCHEMBL29375184 0.91 SPR (1.00) SPRKDM4EALDH1A1CYP2D6NOTUM
Acetylserotonin SCHEMBL422165 0.91 SPR (1.00) SPRKDM4EALDH1A1CYP2D6NOTUM
Acetylserotonin SCHEMBL31488730 0.90 SPR (0.97) SPRKDM4EALDH1A1CYP2D6NOTUM
Acetylserotonin SCHEMBL29669245 0.90 SPR (0.97) SPRKDM4EALDH1A1CYP2D6NOTUM
Melatonin SCHEMBL5816624 0.84 MTNR1A (0.84) KDM4EALDH1A1CYP2D6NOTUMCYP1A2
Acetylserotonin SCHEMBL28475510 0.84 SPR (0.86) SPRKDM4EALDH1A1CYP2D6NOTUM
Acetylserotonin SCHEMBL28474145 0.84 SPR (0.86) SPRKDM4EALDH1A1CYP2D6NOTUM
SCHEMBL1960963 0.84 SPR (0.78) SPRKDM4EALDH1A1CYP2D6NOTUM
SCHEMBL1131640 0.83 SPR (0.76) SPRKDM4EALDH1A1CYP2D6NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002083144-A1 METHOD OF TREATMENT USING DEUTERIUM COMPOUNDS BELL RUPERT CHARLES (US) 2002-10-24 WO disclosed
US-6376531-B1 ANTIDEPRESSANTS BELL RUPERT CHARLES (US) 2002-04-23 US disclosed