SCHEMBL5509174

SCHEMBL5509174

CN(C)c1cccc(OCCCNC(=O)[C@H](Cc2cc[c]cc2)NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.46
NPY5R Q15761 1/20 0.46
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
AVPR1B P47901 1/20 0.44
LMNA P02545 1/20 0.43
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
BMP1 P13497 2/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
F2 P00734 3/20 0.40
TMPRSS6 Q8IU80 2/20 0.39

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
SCHEMBL4866780 0.88 ITGB3 (0.49) ADAMTS4NPY5RMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4866783 0.88 ITGB3 (0.49) ADAMTS4NPY5RMAPK1SMN1; SMN2ALDH1A1
SCHEMBL5499234 0.87 CTSL (0.49) NPY5RMAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL5499235 0.87 CTSL (0.49) NPY5RMAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3742711 0.85 ADAMTS4 (0.44) ADAMTS4NPY5RMAPK1SMN1; SMN2ALDH1A1
SCHEMBL3742687 0.85 ADAMTS4 (0.44) ADAMTS4NPY5RMAPK1SMN1; SMN2ALDH1A1
SCHEMBL3742720 0.84 ADAMTS4 (0.43) ADAMTS4NPY5RMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4864939 0.82 MMP2 (0.49) NPY5RMAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4864934 0.82 MMP2 (0.49) NPY5RMAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL5505499 0.82 AVPR1B (0.49) ADAMTS4NPY5RMAPK1SMN1; SMN2ALDH1A1

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-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP disclosed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO disclosed