SCHEMBL12291243

SCHEMBL12291243

NC1CCCN([C@@H]2Cc3ccccc3[C@H]2Oc2ccc(Br)cc2-c2cc[nH]n2)C1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPC6 Q9Y210 2/20 0.55
▸ TRPC3 Q13507 1/20 0.55
▸ TRPC7 Q9HCX4 1/20 0.55
▸ SLC9A3 P48764 18/20 0.53
▸ CYP2D6 P10635 6/20 0.48

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
SCHEMBL2189261 1.00 TRPC6 (0.55) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL12363090 1.00 TRPC6 (0.55) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2409265 1.00 TRPC6 (0.55) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2187942 1.00 TRPC6 (0.55) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2409262 1.00 TRPC6 (0.55) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL12363014 0.92 TRPC6 (0.46) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL12363089 0.92 TRPC6 (0.46) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2190250 0.92 TRPC6 (0.46) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2188265 0.92 TRPC6 (0.46) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2409887 0.90 TRPC6 (0.55) 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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