SCHEMBL108808

SCHEMBL108808

CC(C)CN(NC(=O)c1cnsn1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
MAPT P10636 4/20 0.46
PKM P14618 1/20 0.46
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.34
MITF O75030 1/20 0.34
CNR2 P34972 1/20 0.33
GFER P55789 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL109203 0.74 SIRT6 (0.41) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL109899 0.73 SMYD3 (0.40) RAB9ANPC1PKMSMN1; SMN2TP53
SCHEMBL106823 0.72 RAB9A (0.49) RAB9ANPC1MAPTPKMGLA
SCHEMBL2781825 0.72 KMT2A (0.40) HDAC1HDAC6
SCHEMBL106400 0.72 PSMB8 (0.40) RAB9ANPC1HPGDSMN1; SMN2L3MBTL1
SCHEMBL107632 0.70 CTSA (0.46) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL106421 0.69 CTSA (0.47) CNR2
SCHEMBL4002227 0.69 ROCK1 (0.51) RAB9ANPC1SMN1; SMN2HDAC1HDAC6
Water SCHEMBL11526103 0.66 CA12 (0.35)
SCHEMBL11591493 0.65

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
EP-2424869-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2012-03-07 EP disclosed
WO-2010125102-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed