SCHEMBL2334375

SCHEMBL2334375

CC(C)(C)OC(=O)NCCCCc1ccc(OCCN(C[C@@H](O)[C@@H](O)CO)C[C@@H](O)[C@@H](O)CO)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.48
CA2 P00918 6/20 0.48
CA12 O43570 5/20 0.48
CA9 Q16790 5/20 0.48
SUCNR1 Q9BXA5 8/20 0.43
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL938796 0.85 TDP1 (0.40) CA1CA2CA12CA9TDP1
SCHEMBL911292 0.83 CA1 (0.53) CA1CA2CA12CA9SUCNR1
SCHEMBL910120 0.82 CA1 (0.54) CA1CA2CA12CA9SUCNR1
SCHEMBL16572363 0.80 CA12 (0.50) CA1CA2CA12CA9
SCHEMBL16627553 0.80 CA1 (0.53) CA1CA2CA12CA9SUCNR1
SCHEMBL911229 0.80 CA12 (0.49) CA1CA2CA12CA9SUCNR1
SCHEMBL16498852 0.79 CA1 (0.50) CA1CA2CA12CA9SUCNR1
SCHEMBL23291248 0.79 CA1 (0.51) CA1CA2CA12CA9
SCHEMBL910742 0.79 CA1 (0.55) CA1CA2CA12CA9SUCNR1
SCHEMBL5015557 0.78 CA1 (0.59) CA1CA2CA12CA9SUCNR1

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-1485360-B1 SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2011-08-17 EP disclosed