SCHEMBL16006296

SCHEMBL16006296

C[C@@H]1CN[C@H](c2ncc(-c3ccc(-c4ccc(-c5ccc(-c6cnc([C@@H]7C[C@H](C)CN7)[nH]6)c6c5C5CCC6C5)c5c4C4CCC5C4)cc3)[nH]2)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.33
SSTR3 P32745 3/20 0.31
KCNH2 Q12809 2/20 0.31
HPGDS O60760 3/20 0.31
TTK P33981 4/20 0.31
SSTR5 P35346 1/20 0.31
CDC7 O00311 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
ROCK1 Q13464 1/20 0.30
DBF4 Q9UBU7 1/20 0.30

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
SCHEMBL16577431 0.99 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL15586688 0.99 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL15586250 0.96 MAPK13 (0.36) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL18506163 0.91 MAPK13 (0.35) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL15586479 0.87 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL16577457 0.85 SSTR3 (0.34) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL14793215 0.83 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL12531125 0.83 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL18501422 0.83 SCN10A (0.35) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL16948485 0.82 SCN10A (0.34) MAPK13MAPK12MAPK11MAPK14SCN10A

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-2014131315-A1 BRIDGED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-09-04 WO disclosed