SCHEMBL3154178

SCHEMBL3154178

COc1ccc2nccc(CCC3(O)CCC4(CC3)CN(c3ccc5c(c3)NC=C[S+]5[O-])C(=O)O4)c2n1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.35
SSTR5 P35346 2/20 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
SCHEMBL2252560 0.83 KCNH2 (0.49) KCNH2
SCHEMBL2253511 0.83 KCNH2 (0.39) KCNH2
SCHEMBL2255530 0.83 KCNH2 (0.39) KCNH2
SCHEMBL2256847 0.83 KCNH2 (0.49) KCNH2
SCHEMBL2252556 0.83 KCNH2 (0.49) KCNH2
SCHEMBL2253508 0.83 KCNH2 (0.39) KCNH2
SCHEMBL2250560 0.82 KCNH2 (0.43) KCNH2SSTR5
SCHEMBL4137510 0.82 KCNH2 (0.43) KCNH2SSTR5
SCHEMBL2254016 0.82 KCNH2 (0.43) KCNH2SSTR5
SCHEMBL2250556 0.82 KCNH2 (0.43) KCNH2SSTR5

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
EP-2066678-B1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-02-10 EP disclosed