SCHEMBL27601173

SCHEMBL27601173

CC(=O)NC(CCC(=O)O)C(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.63
MEN1 O00255 6/20 0.63
TSHR P16473 2/20 0.63
LMNA P02545 1/20 0.63
CYP1A2 P05177 1/20 0.63
PKM P14618 1/20 0.63
CYP2C19 P33261 1/20 0.63
BLM P54132 1/20 0.63
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPT P10636 1/20 0.59
ALOX15 P16050 1/20 0.59
MAPK1 P28482 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
TACR3 P29371 1/20 0.58
NMBR P28336 3/20 0.57
TACR1 P25103 1/20 0.56
CTSC P53634 1/20 0.56

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
SCHEMBL27601171 1.00 KMT2A (0.63) KMT2AMEN1TSHRLMNACYP1A2
SCHEMBL5130436 0.84 MTNR1A (0.57) KMT2AMEN1TSHRLMNACYP1A2
SCHEMBL12488365 0.84 MTNR1A (0.57) KMT2AMEN1TSHRLMNACYP1A2
SCHEMBL23417859 0.84 KMT2A (0.54) KMT2AMEN1CYP1A2CYP2C19KDM4E
SCHEMBL27461667 0.83 ERAP2 (0.66) ALOX15
SCHEMBL30310892 0.83 ERAP2 (0.66) ALOX15
SCHEMBL27478211 0.83 ERAP2 (0.66) ALOX15
SCHEMBL31186837 0.83 KMT2A (0.57) KMT2AMEN1TSHRLMNACYP1A2
SCHEMBL1132363 0.82 CTSC (0.72) KMT2AMEN1TSHRLMNACYP1A2
SCHEMBL18381197 0.82 CTSC (0.72) KMT2AMEN1TSHRLMNACYP1A2

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
CN-100432051-C Coupling product between tryptamine and alpha-amino acid, process for its prepn. as well as its application in neurocosmetic field EXSYLMOL SAM (MC) 2008-11-12 CN disclosed
CN-1519231-A Coupling product between tryptamine and alpha-amino acid, process for its prepn. as well as its application in neurocosmetic field ����ϣĪ����˾ 2004-08-11 CN disclosed