SCHEMBL9742591

SCHEMBL9742591

CCCCC(=NC#N)N[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 9/20 0.58
▸ ABCB1 P08183 7/20 0.54
▸ KCNE1 P15382 3/20 0.50
▸ KCNQ1 P51787 3/20 0.50

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
SCHEMBL9742596 1.00 ABCC9 (0.58) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL9397146 1.00 ABCC9 (0.58) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL9397108 0.97 ABCC9 (0.57) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL9393240 0.96 ABCC9 (0.56) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL9193380 0.94 ABCC9 (0.60) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL9193402 0.94 ABCC9 (0.60) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL9193387 0.94 ABCC9 (0.60) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL9193390 0.94 ABCC9 (0.60) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL9193405 0.94 ABCC9 (0.60) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL9195774 0.90 ABCC9 (0.62) ABCC9ABCB1KCNE1KCNQ1

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-5095016-A Hypotensive KAKEN PHARMACEUTICAL CO., LTD. (JP) 1992-03-10 — — US disclosed
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