SCHEMBL5200977

SCHEMBL5200977

CC(CN)COCc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
AGXT P21549 2/20 0.47
MAOB P27338 7/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
TAAR1 Q96RJ0 1/20 0.39
SCN4A P35499 2/20 0.39
TRPA1 O75762 1/20 0.37
ALOX5 P09917 1/20 0.36
APP P05067 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
Hydrochloric Acid SCHEMBL5202301 0.98 IDO1 (0.48) IDO1AGXTMAOBLOXL2TAAR1
SCHEMBL13676863 0.85 IDO1 (0.48) IDO1AGXTMAOBLOXL2TRPA1
SCHEMBL506937 0.81 IDO1 (0.50) IDO1AGXTMAOBLOXL2TAAR1
SCHEMBL26330565 0.81 TSHR (0.52) IDO1AGXTSCN4A
SCHEMBL29127931 0.81 CA1 (0.55) IDO1AGXTMAOBTAAR1APP
SCHEMBL29127933 0.81 CA1 (0.55) IDO1AGXTMAOBTAAR1APP
SCHEMBL7955762 0.80 IDO1 (0.48) IDO1AGXTMAOBLOXL2TAAR1
SCHEMBL7964945 0.80 IDO1 (0.48) IDO1AGXTMAOBLOXL2TAAR1
SCHEMBL17281540 0.79 IDO1 (0.47) IDO1AGXTMAOBLOXL2TRPA1
SCHEMBL26093335 0.76 IDO1 (0.44) IDO1AGXTMAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817309-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES Syngeta Participations AG (CH) 2007-08-15 EP disclosed
WO-2006058700-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-06-08 WO disclosed