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SCHEMBL7970111

SCHEMBL7970111

CNC(=O)NCCCC(C)(C)CC(NS(=O)(=O)c1ccc(OC)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2OCC[C@H]21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.48
▸ KCNE1 P15382 1/20 0.48
▸ KCNQ1 P51787 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ SCN5A Q14524 1/20 0.48
▸ KCND3 Q9UK17 1/20 0.48
▸ BMP1 P13497 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
SCHEMBL1602914 1.00 ABCB1 (0.48) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL1603230 1.00 ABCB1 (0.48) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL1602770 0.96 ABCB1 (0.49) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL1603065 0.96 ABCB1 (0.49) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL1601852 0.93 ABCB1 (0.48) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL1600575 0.93 ABCB1 (0.48) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL1600704 0.92 ABCB1 (0.49) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL1601916 0.92 ABCB1 (0.49) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL1601311 0.91 ABCB1 (0.52) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL1602720 0.91 ABCB1 (0.52) ABCB1KCNE1KCNQ1KCNH2SCN5A

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
US-6319946-B1 BENZODIOXOLYLSULFONAMIDES; INHIBITING HIV-1 AND HIV-2 PROTEASE ACTIVITY VERTEX PHARMACEUTICALS INCORPORATED 2001-11-20 — — US disclosed