SCHEMBL3250867

SCHEMBL3250867

COc1ccc2nccc(CCC3(O)CCCCC3)c2n1.Cc1ccc(NC(=O)O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.43
SLC2A1 P11166 1/20 0.36

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
SCHEMBL3252737 0.87 KCNH2 (0.39) KCNH2
SCHEMBL1147788 0.87 KCNH2 (0.45) KCNH2SLC2A1
SCHEMBL3251533 0.86 KCNH2 (0.49) KCNH2
SCHEMBL3244059 0.83 KCNH2 (0.40) KCNH2
SCHEMBL3689266 0.76 KCNH2 (0.46) KCNH2
SCHEMBL3251999 0.75 KCNH2 (0.44) KCNH2
SCHEMBL3243307 0.75 KCNH2 (0.44) KCNH2
SCHEMBL3251995 0.75 KCNH2 (0.44) KCNH2
SCHEMBL1148084 0.74 KCNH2 (0.41) KCNH2
SCHEMBL4062339 0.73 KCNH2 (0.44) 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-2001478-B1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-02 EP claimed