SCHEMBL9876321

SCHEMBL9876321

CN(C)C(=O)c1ccc2c(c1)[C@H](N(C)C1=CC(=O)OC1)[C@@H](O)C(C)(C)O2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 11/20 0.40
KCNQ1 P51787 11/20 0.40
KDM4E B2RXH2 1/20 0.39
ABCB1 P08183 3/20 0.38
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
KCND3 Q9UK17 1/20 0.37
KCNA5 P22460 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL9742155 0.68 KCNA5 (0.40) KCNE1KCNQ1KCNA5
SCHEMBL9876565 0.66 KDM4E (0.59) KCNE1KCNQ1KDM4EABCB1CYP3A4
SCHEMBL9876570 0.66 KDM4E (0.59) KCNE1KCNQ1KDM4EABCB1CYP3A4
SCHEMBL9876573 0.66 KDM4E (0.59) KCNE1KCNQ1KDM4EABCB1CYP3A4
SCHEMBL27317744 0.65 KCNE1 (0.55) KCNE1KCNQ1KDM4E
SCHEMBL9876365 0.64 KDM4E (0.56) KCNE1KCNQ1KDM4EABCB1CYP3A4
SCHEMBL9876369 0.64 KDM4E (0.56) KCNE1KCNQ1KDM4EABCB1CYP3A4
SCHEMBL9353579 0.64 KCNE1 (0.46) KCNE1KCNQ1KDM4E
SCHEMBL5913614 0.63 ALDH1A1 (0.63)
SCHEMBL9443567 0.63 ABCB1 (0.41) KCNE1KCNQ1KDM4EABCB1CYP3A4

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-5071871-A Pharmaceutically useful benzo(β)pyranes and pyranopyridines SANDOZ LTD. (CH) 1991-12-10 US disclosed