SCHEMBL3382371

SCHEMBL3382371

NC(=O)CC[C@@H](C(=O)O)N(Cl)Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
ALOX15 P16050 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
GRM8 O00222 1/20 0.30
GRM6 O15303 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GSR P00390 1/20 0.30
CYP1A2 P05177 1/20 0.30
GRIK1 P39086 1/20 0.30
GRM5 P41594 1/20 0.30
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
GRIA4 P48058 1/20 0.30
GRIN1 Q05586 1/20 0.30

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
SCHEMBL3382374 1.00 KMT2A (0.47) KMT2AALOX15BLMPMP22GRM8
SCHEMBL3378637 0.87 RNPEP (0.39) KMT2AALOX15BLMPMP22
SCHEMBL3378632 0.87 RNPEP (0.39) KMT2AALOX15BLMPMP22
SCHEMBL3377867 0.83 TET2 (0.43) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL11712215 0.83 KMT2A (0.50) KMT2AALOX15BLMPMP22GRM8
SCHEMBL3381970 0.83 KMT2A (0.50) KMT2AALOX15BLMPMP22GRM8
SCHEMBL3377870 0.83 TET2 (0.43) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL3883135 0.83 KMT2A (0.50) KMT2AALOX15BLMPMP22GRM8
SCHEMBL3381967 0.83 KMT2A (0.50) KMT2AALOX15BLMPMP22GRM8
SCHEMBL3379982 0.79 ALOX15 (0.31) KMT2AALOX15BLMPMP22

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-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed