SCHEMBL12290636

SCHEMBL12290636

NC[C@H]1CCN([C@@H]2Cc3ccccc3C2Oc2ccc(Cl)cc2Br)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC9A3 P48764 16/20 0.47
▸ TRPC6 Q9Y210 2/20 0.47
▸ TRPC3 Q13507 1/20 0.47
▸ TRPC7 Q9HCX4 1/20 0.47
▸ CYP2D6 P10635 6/20 0.46
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL2413826 1.00 SLC9A3 (0.47) SLC9A3TRPC6TRPC3TRPC7CYP2D6
SCHEMBL2408570 0.90 TRPC6 (0.55) SLC9A3TRPC6TRPC3TRPC7CYP2D6
SCHEMBL12290638 0.90 TRPC6 (0.49) SLC9A3TRPC6TRPC3TRPC7CYP2D6
SCHEMBL12291258 0.90 TRPC6 (0.49) SLC9A3TRPC6TRPC3TRPC7CYP2D6
SCHEMBL2369936 0.86 TRPC6 (0.54) SLC9A3TRPC6TRPC3TRPC7CYP2D6
SCHEMBL2413989 0.86 TRPC6 (0.58) SLC9A3TRPC6TRPC3TRPC7CYP2D6
SCHEMBL2409989 0.86 TRPC6 (0.56) SLC9A3TRPC6TRPC3TRPC7CYP2D6
SCHEMBL2409067 0.86 TRPC6 (0.56) SLC9A3TRPC6TRPC3TRPC7CYP2D6
SCHEMBL12291653 0.84 TRPC6 (0.52) SLC9A3TRPC6TRPC3TRPC7CYP2D6
SCHEMBL2409077 0.84 TRPC6 (0.52) SLC9A3TRPC6TRPC3TRPC7CYP2D6

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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