SCHEMBL1132363

SCHEMBL1132363

N[C@H](CCC(=O)O)C(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.72
NLN Q9BYT8 1/20 0.62
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
TSHR P16473 2/20 0.60
MAPT P10636 2/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX15 P16050 1/20 0.60
MAPK1 P28482 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
PKM P14618 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL18381197 1.00 CTSC (0.72) CTSCNLNMEN1KMT2ATSHR
SCHEMBL1132347 1.00 CTSC (0.72) CTSCNLNMEN1KMT2ATSHR
SCHEMBL1132875 0.91 CTSC (0.72) CTSCNLNMEN1KMT2ATSHR
SCHEMBL7620303 0.88 CTSC (0.72) CTSCNLNMEN1KMT2ATSHR
SCHEMBL11768533 0.88 CTSC (0.69) CTSCNLNMEN1KMT2ATSHR
SCHEMBL15398876 0.85 CTSC (0.71) CTSCNLNMEN1KMT2ATSHR
SCHEMBL7615745 0.85 HDAC8 (0.74) CTSCNLNMEN1KMT2ATSHR
SCHEMBL7706652 0.85 SPR (0.68) KMT2ATSHRMAPTKDM4EALDH1A1
SCHEMBL7641919 0.85 KMT2A (0.75) CTSCNLNMEN1KMT2ATSHR
SCHEMBL15145338 0.85 KMT2A (0.75) CTSCNLNMEN1KMT2ATSHR

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-1408032-B1 Coupling product between tryptamine and an alpha-amino acid and its use in the field of neuro-cosmetics EXSYMOL SA (MC) 2011-02-16 EP claimed
EP-1408032-A2 Coupling product between tryptamine and an alpha-amino acid and its use in the field of neuro-cosmetics EXSYMOL S.A.M. (MC) 2004-04-14 EP claimed
EP-1408032-B1 Coupling product between tryptamine and an alpha-amino acid and its use in the field of neuro-cosmetics EXSYMOL SA (MC) 2011-02-16 EP disclosed
EP-1408032-A2 Coupling product between tryptamine and an alpha-amino acid and its use in the field of neuro-cosmetics EXSYMOL S.A.M. (MC) 2004-04-14 EP disclosed