SCHEMBL19634256

SCHEMBL19634256

COc1ccc(CN(Sc2ccc(OC3CN(C(=O)OC(C)(C)C)C3)c(Cl)c2)c2nccs2)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.37
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNG7 P62955 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNG1 Q06432 1/20 0.36
CACNB2 Q08289 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
CACNA1E Q15878 1/20 0.36
CACNA2D4 Q7Z3S7 1/20 0.36
CACNA2D3 Q8IZS8 1/20 0.36

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
SCHEMBL19634012 0.93 PDE4B (0.41) P2RX3CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL19634031 0.89 STS (0.36) P2RX3PDE4BMEN1KMT2APIK3CD
SCHEMBL19634176 0.89 P2RX3 (0.36) P2RX3MEN1KMT2AMAPTSTS
SCHEMBL19634114 0.88 SCN1A (0.37) P2RX3PDE4BMEN1KMT2APIK3CD
SCHEMBL19613880 0.84 SCN1A (0.41) P2RX3CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL19634139 0.82 MAPT (0.39) P2RX3CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL19634096 0.79 MAPT (0.39) P2RX3CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL19627640 0.78 SCN8A (0.41) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL19613659 0.78 SCN8A (0.46) PDE4BSCN1ASCN8APDE4APDE4C
SCHEMBL19633926 0.77 STS (0.36) P2RX3PDE4BMEN1KMT2APIK3CD

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-2017201468-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-11-23 WO disclosed