SCHEMBL14705116

SCHEMBL14705116

c1cc2c(cc1-c1cnc([C@@H]3CC4CCCC4N3)[nH]1)-c1ccc(-c3cnc([C@@H]4C[C@@H]5CCC[C@@H]5N4)[nH]3)cc1-2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 18/20 0.39
KCNH2 Q12809 16/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
SSTR1 P30872 1/20 0.36
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL14691119 1.00 SSTR3 (0.39) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
Hydrochloric Acid SCHEMBL16238708 0.99 SSTR3 (0.38) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL14691498 0.90 SSTR3 (0.35) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL14691473 0.90 SSTR3 (0.35) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL14699302 0.88 SSTR3 (0.36) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL19414649 0.87 SSTR3 (0.39) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
Hydrochloric Acid SCHEMBL16238709 0.87 SSTR3 (0.36) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL14691072 0.87 SSTR3 (0.33) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL14690979 0.86 SSTR3 (0.36) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL17253536 0.86 SSTR3 (0.37) SSTR3KCNH2CACNA1FCACNA1DCACNA1S

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013028953-A1 COMBINATION TREATMENTS FOR HEPATITIS C GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed
WO-2013025975-A1 COMBINATION TREATMENTS FOR HEPATITIS C GLAXOSMITHKLINE LLC (US) 2013-02-21 WO disclosed
WO-2013022810-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-02-14 WO disclosed