SCHEMBL12291258

SCHEMBL12291258

NC[C@@H]1CCN([C@@H]2Cc3ccccc3[C@H]2Oc2ccc(Cl)cc2N)C1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPC6 Q9Y210 2/20 0.49
▸ TRPC3 Q13507 1/20 0.49
▸ TRPC7 Q9HCX4 1/20 0.49
▸ SLC9A3 P48764 18/20 0.47
▸ CYP2D6 P10635 6/20 0.45

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
SCHEMBL12290638 1.00 TRPC6 (0.49) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2408570 0.92 TRPC6 (0.55) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL12290636 0.90 SLC9A3 (0.47) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2413826 0.90 SLC9A3 (0.47) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2409989 0.88 TRPC6 (0.56) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2409067 0.88 TRPC6 (0.56) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL12290612 0.87 TRPC6 (0.60) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2409863 0.85 TRPC6 (0.52) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2409077 0.85 TRPC6 (0.52) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL12320495 0.85 TRPC6 (0.52) 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
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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