SCHEMBL12291259

SCHEMBL12291259

N#Cc1ccc(OC2c3ccccc3C[C@H]2N2CC[C@@H](CN)C2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPC6 Q9Y210 3/20 0.54
▸ SLC9A3 P48764 15/20 0.48
▸ TRPC3 Q13507 2/20 0.45
▸ TRPC7 Q9HCX4 1/20 0.45
▸ CYP2D6 P10635 3/20 0.43
▸ TRPV4 Q9HBA0 2/20 0.38

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
SCHEMBL2410300 1.00 TRPC6 (0.54) TRPC6SLC9A3TRPC3TRPC7CYP2D6
SCHEMBL2413067 1.00 TRPC6 (0.54) TRPC6SLC9A3TRPC3TRPC7CYP2D6
SCHEMBL12363378 0.89 TRPC6 (0.54) TRPC6SLC9A3TRPC3TRPC7CYP2D6
SCHEMBL2406821 0.89 TRPC6 (0.54) TRPC6SLC9A3TRPC3TRPC7CYP2D6
SCHEMBL2407911 0.89 TRPC6 (0.54) TRPC6SLC9A3TRPC3TRPC7CYP2D6
SCHEMBL2409961 0.89 TRPC6 (0.51) TRPC6SLC9A3TRPC3TRPC7CYP2D6
SCHEMBL2411390 0.89 TRPC6 (0.65) TRPC6SLC9A3TRPC3TRPC7CYP2D6
SCHEMBL2411270 0.85 TRPC6 (0.74) TRPC6SLC9A3TRPC3TRPC7CYP2D6
SCHEMBL12363354 0.85 TRPC6 (0.74) TRPC6SLC9A3TRPC3TRPC7CYP2D6
SCHEMBL2415549 0.84 TRPC6 (0.50) TRPC6SLC9A3TRPC3TRPC7CYP2D6

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-2011107474-A1 DERIVATIVES OF AMINOINDANES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2011-09-09 — — WO disclosed
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