SCHEMBL882925

SCHEMBL882925

C[C@@H]1CC[C@@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC[C@@H](C)N6)[nH]5)cc4)cc3)[nH]2)N1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
SSTR3 P32745 14/20 0.39
KCNH2 Q12809 12/20 0.39
CACNA1F O60840 2/20 0.37
CACNA1D Q01668 2/20 0.37
CACNA1S Q13698 2/20 0.37
CACNA1C Q13936 2/20 0.37
SCN10A Q9Y5Y9 1/20 0.36
HPGDS O60760 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
SCHEMBL10234333 1.00 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL11982044 1.00 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL18241832 1.00 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14SSTR3
Hydrochloric Acid SCHEMBL13740020 0.98 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL12328184 0.90 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL12160168 0.89 MAPK13 (0.36) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL15711205 0.89 MAPK13 (0.36) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL13639112 0.88 SSTR3 (0.36) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL19334267 0.88 SSTR3 (0.36) MAPK13MAPK12MAPK11MAPK14SSTR3
SCHEMBL14330853 0.88 SSTR3 (0.36) 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-2012039717-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 WO disclosed