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Sugi Predict / Compounds / SCHEMBL12437629

SCHEMBL12437629

SCHEMBL12437629

c1cc(-c2cnc([C@H]3N[C@@H]4CC[C@H]3C4)[nH]2)ccc1-c1ccc(-c2cnc([C@H]3NC4CC[C@@H]43)[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 17/20 0.36
▸ KCNH2 Q12809 16/20 0.36
▸ CACNA1F O60840 2/20 0.34
▸ CACNA1D Q01668 2/20 0.34
▸ CACNA1S Q13698 2/20 0.34
▸ CACNA1C Q13936 2/20 0.34
▸ HPGDS O60760 1/20 0.32

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
SCHEMBL17656261 0.83 MAPK13 (0.45) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL12436380 0.79 SSTR3 (0.33) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL17656297 0.74 MAPK13 (0.36) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL16891266 0.74 SSTR3 (0.34) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL15463317 0.69 SSTR3 (0.43) SSTR3KCNH2HPGDS
SCHEMBL17014411 0.69 — —
SCHEMBL15106702 0.68 MAPK13 (0.42) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL17563566 0.68 MAPK13 (0.42) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL754149 0.68 MAPK13 (0.42) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL12159997 0.68 MAPK13 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011091532-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 — — WO disclosed