SCHEMBL8334464

SCHEMBL8334464

Cc1ccc(NC(=O)C(NC(=O)OC(C)(C)C)c2ccccc2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.46
ATM Q13315 1/20 0.46
THRB P10828 1/20 0.45
S1PR3 Q99500 1/20 0.45
ALDH1A1 P00352 1/20 0.44
BACE1 P56817 2/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL8345848 0.91 CTSS (0.56) CTSSCTSKSMN1; SMN2MAPTMEN1
SCHEMBL8338388 0.89 CTSS (0.54) CTSSCTSKSMN1; SMN2MAPTS1PR3
SCHEMBL8346165 0.89 CTSS (0.54) CTSSCTSKSMN1; SMN2MAPTS1PR3
SCHEMBL8337352 0.88 CTSS (0.60) CTSSCTSKSMN1; SMN2MAPTPOLB
SCHEMBL8348009 0.88 CTSS (0.60) CTSSCTSKSMN1; SMN2MAPTPOLB
SCHEMBL6718465 0.85 MEN1 (0.55) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL8336332 0.83 CTSS (0.60) CTSSCTSKSMN1; SMN2MAPTMEN1
SCHEMBL8336805 0.82 CTSS (0.57) CTSSCTSKMAPTMEN1KMT2A
SCHEMBL8336972 0.82 CTSS (0.57) CTSSCTSKMAPTS1PR3ALDH1A1
SCHEMBL8338471 0.82 CTSS (0.59) CTSSCTSKSMN1; SMN2MAPTKMT2A

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
WO-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed
WO-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed