SCHEMBL2006874

SCHEMBL2006874

CN1C(=O)C(C(C)(C)C)Oc2cc3c(cc21)OC(C)(C)[C@H](O)[C@H]3N(CCc1ccccc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.38
KCNA5 P22460 8/20 0.37
KCNE1 P15382 7/20 0.36
KCNQ1 P51787 7/20 0.36
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
RIPK1 Q13546 2/20 0.31

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
SCHEMBL2008990 0.83 ABCB1 (0.39) ABCB1KCNA5KCNE1KCNQ1CYP3A4
SCHEMBL3583727 0.83 ABCB1 (0.38) ABCB1KCNA5KCNE1KCNQ1CYP3A4
SCHEMBL2006871 0.76 ABCB1 (0.41) ABCB1KCNA5KCNE1KCNQ1CYP3A4
SCHEMBL3601136 0.74 TP53 (0.43) ABCB1CYP3A4ALOX15
SCHEMBL3601953 0.72 ABCB1 (0.43) ABCB1KCNA5KCNE1KCNQ1CYP3A4
SCHEMBL3602288 0.71 NPC1 (0.41) ABCB1KCNA5KCNE1KCNQ1CYP3A4
SCHEMBL3596795 0.68 L3MBTL1 (0.39) ABCB1KCNA5KCNE1KCNQ1CYP3A4
SCHEMBL3599146 0.67 KCNE1 (0.40) ABCB1KCNA5KCNE1KCNQ1CYP3A4
SCHEMBL3599142 0.67 KCNE1 (0.40) ABCB1KCNA5KCNE1KCNQ1CYP3A4
SCHEMBL2008987 0.67 ABCB1 (0.42) ABCB1KCNE1KCNQ1CYP3A4ALOX15

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-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed