SCHEMBL16948352

SCHEMBL16948352

C[C@H]1CC[C@@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC[C@H](C)N6)[nH]5)c5c4C4CCC5C4)cc3)[nH]2)N1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
SSTR3 P32745 12/20 0.32
KCNH2 Q12809 11/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
TTK P33981 4/20 0.32
SSTR5 P35346 1/20 0.32
HPGDS O60760 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31

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
SCHEMBL18501411 1.00 MAPK13 (0.36) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL16948443 0.86 AAK1 (0.36) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL18501422 0.85 SCN10A (0.35) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL16577431 0.83 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL15586688 0.83 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL10234333 0.83 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL882925 0.83 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL11982044 0.83 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL18241832 0.83 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL16006296 0.82 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14SSTR3

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-2015110048-A1 BRIDGED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-07-30 WO disclosed