SCHEMBL3043847

SCHEMBL3043847

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(O)[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
MAPT P10636 3/20 0.62
KMT2A Q03164 3/20 0.62
LMNA P02545 2/20 0.62
TSHR P16473 2/20 0.62
BLM P54132 2/20 0.62
PMP22 Q01453 2/20 0.62
MEN1 O00255 1/20 0.62
MPO P05164 1/20 0.62
HIF1A Q16665 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.51
MC4R P32245 2/20 0.51
MC5R P33032 1/20 0.51
MC3R P41968 1/20 0.51
APAF1 O14727 1/20 0.50
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ERAP2 Q6P179 1/20 0.48
TACR1 P25103 2/20 0.45

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
SCHEMBL16057376 0.89 KDM4E (0.65) KDM4EMAPTKMT2ALMNATSHR
Dl-Tryptophan SCHEMBL27153460 0.83 KDM4E (0.82) KDM4EMAPTKMT2ALMNATSHR
Dl-Tryptophan SCHEMBL8059982 0.83 KDM4E (0.82) KDM4EMAPTKMT2ALMNATSHR
Tryptophan SCHEMBL6688035 0.83 KDM4E (0.82) KDM4EMAPTKMT2ALMNATSHR
Dl-Tryptophan SCHEMBL27522281 0.81 KDM4E (0.89) KDM4EMAPTKMT2ALMNATSHR
SCHEMBL31436164 0.80 KDM4E (0.69) KDM4EMAPTKMT2ALMNATSHR
SCHEMBL1132857 0.80 KDM4E (0.69) KDM4EMAPTKMT2ALMNATSHR
Dl-Tryptophan SCHEMBL27865136 0.80 KDM4E (0.76) KDM4EMAPTKMT2ALMNATSHR
Tryptophan SCHEMBL1487572 0.80 KDM4E (0.76) KDM4EMAPTKMT2ALMNATSHR
Tryptophan SCHEMBL26089756 0.79 KDM4E (0.84) KDM4EMAPTKMT2ALMNATSHR

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
WO-2010028130-A2 ANTIDEPRESSANT COMPOUNDS CONCERT PHARMACEUTICALS, INC. (US) 2010-03-11 WO disclosed