SCHEMBL8477352

SCHEMBL8477352

CCS(=O)(=O)C1C(NCCC(N)=O)c2cc(F)ccc2OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 3/20 0.45
KCNQ1 P51787 3/20 0.45
KCNA5 P22460 11/20 0.36
TRPV1 Q8NER1 3/20 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
SCHEMBL8477357 0.79 KCNE1 (0.47) KCNE1KCNQ1KCNA5TRPV1
SCHEMBL7479126 0.67 KCNA5 (0.45) KCNE1KCNQ1KCNA5
SCHEMBL7479115 0.67 KCNA5 (0.45) KCNE1KCNQ1KCNA5
SCHEMBL7479109 0.67 KCNA5 (0.45) KCNE1KCNQ1KCNA5
SCHEMBL6276071 0.65 KCNA5 (0.48) KCNA5
SCHEMBL5868249 0.65 KCNA5 (0.48) KCNA5
SCHEMBL5868254 0.65 KCNA5 (0.48) KCNA5
SCHEMBL7473039 0.65 KCNE1 (0.47) KCNE1KCNQ1TRPV1
SCHEMBL7472250 0.63 ABCC9 (0.61)
SCHEMBL7472234 0.63 ABCC9 (0.61)

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
US-5955607-A TREATING CARDIOVASCULAR AND GASTROINTESTINAL DISORDERS HOECHST MARION ROUSSEL DEUTSCHLAND (DE) 1999-09-21 US disclosed