SCHEMBL12290599

SCHEMBL12290599

Nc1ccc(O[C@@H]2c3ccccc3C[C@H]2N2CCC[C@@H](N)C2)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPC6 Q9Y210 2/20 0.62
▸ TRPC3 Q13507 1/20 0.62
▸ TRPC7 Q9HCX4 1/20 0.62
▸ SLC9A3 P48764 18/20 0.60
▸ CYP2D6 P10635 5/20 0.54

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
SCHEMBL12290526 1.00 TRPC6 (0.62) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL12320179 0.94 TRPC6 (0.55) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL12291261 0.94 TRPC6 (0.55) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2189380 0.91 TRPC6 (0.64) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2415300 0.91 TRPC6 (0.64) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2415303 0.91 TRPC6 (0.64) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL12320206 0.91 TRPC6 (0.64) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2408543 0.89 TRPC6 (0.67) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2408540 0.89 TRPC6 (0.67) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2411526 0.87 TRPC6 (0.80) TRPC6TRPC3TRPC7SLC9A3CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2368876-A1 Derivatives of aminoindanes, their preparation and their application in therapeutics SANOFI (FR) 2011-09-28 — — EP disclosed
WO-2011107474-A1 DERIVATIVES OF AMINOINDANES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2011-09-09 — — WO disclosed
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