SCHEMBL8344329

SCHEMBL8344329

Cc1ccccc1NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
FAAH O00519 7/20 0.47
TRPV1 Q8NER1 5/20 0.45
GHSR Q92847 1/20 0.44
P2RX7 Q99572 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL8345080 0.99 MEN1 (0.52) KMT2AMEN1TDP1FAAHTRPV1
SCHEMBL8346749 0.96 GHSR (0.47) KMT2AMEN1TDP1FAAHTRPV1
SCHEMBL8348221 0.86 FAAH (0.46) KMT2ATDP1FAAHTRPV1GHSR
SCHEMBL8345284 0.84 L3MBTL1 (0.55) KMT2AFAAHTRPV1
SCHEMBL8345466 0.84 FAAH (0.47) KMT2AMEN1FAAHTRPV1GHSR
SCHEMBL8345090 0.83 FAAH (0.49) KMT2AMEN1TDP1FAAHTRPV1
SCHEMBL8347812 0.83 FAAH (0.47) KMT2AMEN1FAAHTRPV1GHSR
SCHEMBL25384603 0.81 FAAH (0.62) FAAHTRPV1GHSR
SCHEMBL25890385 0.81 CYP11B1 (0.39) GHSRRAB9A
SCHEMBL8347084 0.79 FAAH (0.57) FAAHTRPV1GHSR

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-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed