SCHEMBL9987151

SCHEMBL9987151

COc1ccc2nccc(CC[C@@H]3CC[C@@H](NC(=O)/C=C/c4cc(F)ccc4F)[C@@H](CC(O)CO)O3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.41
SLC2A1 P11166 1/20 0.34

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
SCHEMBL9984978 1.00 KCNH2 (0.41) KCNH2SLC2A1
SCHEMBL9986613 1.00 KCNH2 (0.41) KCNH2SLC2A1
SCHEMBL9986610 1.00 KCNH2 (0.41) KCNH2SLC2A1
SCHEMBL9984979 1.00 KCNH2 (0.41) KCNH2SLC2A1
SCHEMBL9984980 1.00 KCNH2 (0.41) KCNH2SLC2A1
SCHEMBL9987153 1.00 KCNH2 (0.41) KCNH2SLC2A1
SCHEMBL9985721 1.00 KCNH2 (0.41) KCNH2SLC2A1
SCHEMBL9986398 0.89 KCNH2 (0.40) KCNH2
SCHEMBL9984569 0.89 KCNH2 (0.40) KCNH2
SCHEMBL9984568 0.89 KCNH2 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012040321-A3 METHODS AND APPARATUS FOR EHNANCED GAS DISTRIBUTION GRUPO PETROTEMEX, S.A. DE C.V. (MX) 2012-05-10 WO disclosed
EP-1981881-B1 TETRAHYDROPYRANE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-07 EP disclosed