SCHEMBL30001591

SCHEMBL30001591

CN(C(=O)OC(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)c1cc(NC(=O)OCc2ccccc2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
BACE1 P56817 4/20 0.40
MGLL Q99685 3/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SYK P43405 1/20 0.36
ENPP2 Q13822 2/20 0.36
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
ROCK2 O75116 1/20 0.36
LTA4H P09960 1/20 0.35

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
SCHEMBL30000825 0.90 POLB (0.47) POLBMGLLMAPTNPC1ALDH1A1
SCHEMBL30001576 0.82 POLB (0.46) POLBBACE1MGLLMAPTNPC1
SCHEMBL30001852 0.82 POLB (0.47) POLBMGLLMAPTNPC1ALDH1A1
SCHEMBL29187006 0.82 POLB (0.47) POLBMGLLMAPTNPC1ALDH1A1
SCHEMBL30000812 0.77 AAK1 (0.37)
SCHEMBL29187046 0.77 AAK1 (0.37)
SCHEMBL30001290 0.76 POLB (0.43) POLBBACE1MGLLMAPTNPC1
SCHEMBL2238136 0.76 BACE1 (0.49) BACE1MGLLENPP2
SCHEMBL30000619 0.75 POLB (0.48) POLBMGLLMAPTNPC1ALDH1A1
SCHEMBL30000609 0.74 POLB (0.45) POLBMGLLMAPTNPC1ALDH1A1

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-4347032-A1 SUBSTITUTED TETRAHYDROFURAN-2-CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
WO-2022256702-A1 SUBSTITUTED TETRAHYDROFURAN-2-CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-12-08 WO disclosed