SCHEMBL12320501

SCHEMBL12320501

N#Cc1ccc(O[C@H]2CCc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
SLC9A3 P48764 1/20 0.49
FFAR1 O14842 3/20 0.48
LRRK2 Q5S007 4/20 0.47
HRH3 Q9Y5N1 5/20 0.47
TRPC6 Q9Y210 1/20 0.45
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL12017975 0.82 IDO1 (0.61) IDO1FFAR1
SCHEMBL12320928 0.80 IDO1 (0.54) IDO1FFAR1
SCHEMBL8529487 0.80 IDO1 (0.54) IDO1FFAR1
SCHEMBL21142124 0.80 IDO1 (0.54) IDO1FFAR1
SCHEMBL21142126 0.79 IDO1 (0.50) IDO1FFAR1
SCHEMBL12320182 0.78 IDO1 (0.43) IDO1FFAR1LRRK2TRPC6
SCHEMBL12320212 0.78 IDO1 (0.43) IDO1LRRK2TRPC6ALDH1A1LMNA
SCHEMBL12320188 0.78 TRPC6 (0.50) IDO1LRRK2TRPC6
SCHEMBL12320216 0.78 PGR (0.47) IDO1FFAR1LRRK2
SCHEMBL12320193 0.77 IDO1 (0.45) IDO1FFAR1LRRK2

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
EP-2368876-A1 Derivatives of aminoindanes, their preparation and their application in therapeutics SANOFI (FR) 2011-09-28 EP disclosed