SCHEMBL13458199

SCHEMBL13458199

CC(=O)c1ccc(O[C@@H]2c3ccccc3C[C@H]2N2CCC[C@H](N)C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPC6 Q9Y210 2/20 0.69
▸ SLC9A3 P48764 18/20 0.68
▸ CYP2D6 P10635 3/20 0.68
▸ TRPC3 Q13507 1/20 0.53
▸ TRPC7 Q9HCX4 1/20 0.53

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
SCHEMBL12363356 0.91 TRPC6 (0.70) TRPC6SLC9A3CYP2D6TRPC3TRPC7
SCHEMBL12363375 0.91 TRPC6 (0.70) TRPC6SLC9A3CYP2D6TRPC3TRPC7
SCHEMBL12363385 0.85 TRPC6 (0.61) TRPC6SLC9A3CYP2D6TRPC3TRPC7
SCHEMBL2414556 0.84 TRPC6 (0.76) TRPC6SLC9A3CYP2D6TRPC3TRPC7
SCHEMBL2414559 0.84 TRPC6 (0.76) TRPC6SLC9A3CYP2D6TRPC3TRPC7
SCHEMBL2408358 0.84 TRPC6 (0.76) TRPC6SLC9A3CYP2D6TRPC3TRPC7
SCHEMBL2408361 0.84 TRPC6 (0.76) TRPC6SLC9A3CYP2D6TRPC3TRPC7
SCHEMBL2260914 0.84 SLC9A3 (0.77) TRPC6SLC9A3CYP2D6TRPC3TRPC7
SCHEMBL2188791 0.84 SLC9A3 (0.77) TRPC6SLC9A3CYP2D6TRPC3TRPC7
SCHEMBL2188784 0.84 SLC9A3 (0.77) TRPC6SLC9A3CYP2D6TRPC3TRPC7

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
WO-2010025856-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2010-03-11 — — WO disclosed
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