SCHEMBL5041677

SCHEMBL5041677

CNS(=O)(=O)c1ccc(OCC2CCC2)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.45
FABP5 Q01469 1/20 0.45
BRD4 O60885 1/20 0.45
S1PR3 Q99500 1/20 0.44
MAPK1 P28482 2/20 0.43
SLC6A9 P48067 3/20 0.42
SCN9A Q15858 2/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
APEX1 P27695 1/20 0.41
TSHR P16473 1/20 0.40
SYK P43405 1/20 0.40

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
SCHEMBL5045383 0.95 BRD4 (0.48) FABP4FABP5BRD4S1PR3MAPK1
SCHEMBL1813202 0.86 SLC6A9 (0.54) BRD4S1PR3SLC6A9LMNA
SCHEMBL5043148 0.83 MAPK1 (0.49) S1PR3MAPK1SLC6A9LMNARAB9A
SCHEMBL5045483 0.81 FABP4 (0.43) FABP4FABP5MAPK1SLC6A9L3MBTL1
SCHEMBL2824930 0.81 SLC6A9 (0.59) BRD4S1PR3SLC6A9LMNA
SCHEMBL3873090 0.81 MAPK1 (0.56) S1PR3MAPK1LMNARAB9ATSHR
SCHEMBL22297948 0.81 RORC (0.47) BRD4SLC6A9SCN9A
SCHEMBL22297960 0.80 RORC (0.50) BRD4SLC6A9SCN9A
SCHEMBL2825503 0.79 FABP4 (0.45) FABP4FABP5MAPK1L3MBTL1APEX1
SCHEMBL20870766 0.79 BRD4 (0.42) BRD4MAPK1SLC6A9LMNARAB9A

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
EP-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed