SCHEMBL2921499

SCHEMBL2921499

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
MTNR1A P48039 2/20 0.64
AANAT Q16613 1/20 0.62
CTSC P53634 1/20 0.60
MAPT P10636 3/20 0.60
LMNA P02545 2/20 0.60
TSHR P16473 2/20 0.60
BLM P54132 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MPO P05164 1/20 0.60
PMP22 Q01453 1/20 0.60
HIF1A Q16665 1/20 0.60
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
GFER P55789 1/20 0.58
CYP1A2 P05177 1/20 0.58
PKM P14618 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM1A O60341 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
SCHEMBL1769393 1.00 MEN1 (0.68) MEN1KMT2AMTNR1AAANATCTSC
SCHEMBL1769390 1.00 MEN1 (0.68) MEN1KMT2AMTNR1AAANATCTSC
SCHEMBL13584565 0.91 MAPT (0.62) MEN1KMT2AMTNR1AAANATCTSC
SCHEMBL13584561 0.91 MAPT (0.62) MEN1KMT2AMTNR1AAANATCTSC
SCHEMBL15208305 0.89 MEN1 (0.62) MEN1KMT2AMTNR1AAANATCTSC
SCHEMBL15208303 0.89 MEN1 (0.62) MEN1KMT2AMTNR1AAANATCTSC
SCHEMBL1768952 0.88 AANAT (0.65) MEN1KMT2AMTNR1AAANATCTSC
SCHEMBL1768953 0.88 AANAT (0.65) MEN1KMT2AMTNR1AAANATCTSC
SCHEMBL2824991 0.85 TRPV1 (0.64) KMT2AMAPTLMNATSHRBLM
SCHEMBL19051489 0.84 MEN1 (0.80) MEN1KMT2AMTNR1AAANATMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042286-B1 GAMMA-GLUTAMYL AND BETA-ASPARTYL CONTAINING IMMUNOMODULATOR COMPOUNDS AND METHODS THEREWITH CRAGMONT PHARMACEUTICALS LLC (US) 2010-08-25 EP disclosed
EP-1042286-A1 GAMMA-GLUTAMYL AND BETA-ASPARTYL CONTAINING IMMUNOMODULATOR COMPOUNDS AND METHODS THEREWITH Wei, Edward T. (US) 2000-10-11 EP disclosed
WO-1999033799-A1 GAMMA-GLUTAMYL AND BETA-ASPARTYL CONTAINING IMMUNOMODULATOR COMPOUNDS AND METHODS THEREWITH WEI EDWARD T (US) 1999-07-08 WO disclosed