SCHEMBL12290640

SCHEMBL12290640

NC[C@H]1CCN(C2Cc3ccccc3[C@H]2Oc2ccc(Cl)cc2-c2cc[nH]n2)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPC6 Q9Y210 2/20 0.42
▸ TRPC3 Q13507 1/20 0.42
▸ TRPC7 Q9HCX4 1/20 0.42
▸ SLC9A3 P48764 17/20 0.41
▸ CYP2D6 P10635 7/20 0.39
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33

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
SCHEMBL2370615 1.00 TRPC6 (0.42) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL12363442 0.90 TRPC6 (0.39) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL12290647 0.90 SLC9A3 (0.39) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2369760 0.90 SLC9A3 (0.39) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2411084 0.90 TRPC6 (0.39) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2412817 0.86 TRPC6 (0.59) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL2412812 0.86 TRPC6 (0.59) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL12363449 0.85 SLC9A3 (0.39) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL12291258 0.84 TRPC6 (0.49) TRPC6TRPC3TRPC7SLC9A3CYP2D6
SCHEMBL12290638 0.84 TRPC6 (0.49) 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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