SCHEMBL12320926

SCHEMBL12320926

Bc1ccc(O[C@@H]2c3ccccc3C[C@H]2N2CCC[C@H](N)C2)c(C#N)c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPC6 Q9Y210 6/20 0.70
▸ TRPC3 Q13507 3/20 0.70
▸ TRPC7 Q9HCX4 1/20 0.70
▸ SLC9A3 P48764 14/20 0.57
▸ CYP2D6 P10635 5/20 0.52

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
SCHEMBL2411827 0.89 TRPC6 (0.70) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL12320503 0.89 TRPC6 (0.75) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2409210 0.89 TRPC6 (0.75) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2415293 0.89 TRPC6 (0.75) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2407246 0.89 TRPC6 (0.70) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2412070 0.88 TRPC6 (0.73) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL12292856 0.88 TRPC6 (0.80) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL12320507 0.86 TRPC6 (0.67) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2411086 0.86 TRPC6 (0.68) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2410546 0.86 TRPC6 (0.68) 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 1 patent. 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
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