SCHEMBL16448677

SCHEMBL16448677

COc1ccc(COC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
TRPV6 Q9H1D0 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
APP P05067 7/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 3/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL16448678 1.00 IDO1 (0.41) IDO1AGXTTRPV6CA1CA2
SCHEMBL16686216 0.79 IDO1 (0.43) IDO1AGXTTRPV6CA1CA2
Methyl Alcohol SCHEMBL8601404 0.77 CA1 (0.42) IDO1AGXTTRPV6CA1CA2
SCHEMBL3049370 0.77 NAAA (0.43) IDO1AGXTTRPV6CA1CA2
SCHEMBL16685703 0.77 IDO1 (0.41) IDO1AGXTTRPV6CA1CA2
SCHEMBL15536619 0.76 IDO1 (0.47) IDO1AGXTTRPV6CA1CA2
SCHEMBL26986104 0.75 CA1 (0.43) IDO1AGXTTRPV6CA1CA2
SCHEMBL16685927 0.74 HTT (0.45) CA1CA2
SCHEMBL34413 0.71 IDO1 (0.67) IDO1AGXTCA1CA2APP
SCHEMBL29879670 0.70 NPC1 (0.47) IDO1AGXTCA1CA2TDP1

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
US-8952169-B2 N-substituted benzamides and methods of use thereof XENON PHARMACEUTICALS INC. (CA) 2015-02-10 US disclosed