SCHEMBL3248009

SCHEMBL3248009

COc1cnc2cccc(C(O)CCC3CCN(CCSc4cccs4)CC3OC(=O)O)c2c1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.69

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
SCHEMBL6605541 0.91 KCNH2 (0.83) KCNH2
SCHEMBL3249215 0.90 KCNH2 (0.83) KCNH2
SCHEMBL3249222 0.90 KCNH2 (0.83) KCNH2
SCHEMBL3239781 0.90 KCNH2 (0.83) KCNH2
SCHEMBL3252664 0.90 KCNH2 (0.54) KCNH2
SCHEMBL3246635 0.89 KCNH2 (0.69) KCNH2
SCHEMBL3246642 0.89 KCNH2 (0.69) KCNH2
SCHEMBL3250626 0.88 KCNH2 (0.73) KCNH2
SCHEMBL3250621 0.88 KCNH2 (0.73) KCNH2
SCHEMBL3239699 0.87 KCNH2 (0.55) KCNH2

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-1799674-B1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-05 EP claimed