SCHEMBL14219210

SCHEMBL14219210

Bc1[nH]c2cc(Br)c(OC)cc2c1C[C@H](NC(C)=O)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.52
MTNR1B P49286 6/20 0.52
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NQO2 P16083 1/20 0.34
TACR1 P25103 2/20 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
SCHEMBL2858051 0.89 MTNR1A (0.62) MTNR1AMTNR1BLMNAL3MBTL1KMT2A
SCHEMBL15242308 0.74 MTNR1A (0.37) MTNR1AMTNR1BLMNAKMT2AMEN1
SCHEMBL2867535 0.72 MTNR1A (0.41) MTNR1AMTNR1BLMNAKMT2AMEN1
SCHEMBL2858297 0.72 MTNR1A (0.41) MTNR1AMTNR1BKMT2AMEN1NPBWR1
SCHEMBL2853420 0.70 ALDH1A1 (0.37) MTNR1AMTNR1BLMNAL3MBTL1KMT2A
SCHEMBL4393644 0.68 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1NQO2KDM4E
SCHEMBL7894816 0.68 MTNR1A (0.80) MTNR1AMTNR1BLMNAL3MBTL1ALDH1A1
SCHEMBL7086829 0.67 NPSR1 (0.59) MTNR1AMTNR1BLMNAL3MBTL1KMT2A
SCHEMBL7894811 0.65 MTNR1A (0.71) MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL2674352 0.65 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1911744-A1 TRYPTOPHAN DERIVATIVE AND USE THEREOF Somei, Masanori (JP) 2008-04-16 EP disclosed