SCHEMBL7732173

SCHEMBL7732173

CC(C)(C)OC(=O)N(C(=O)c1coc([C@H](N)CCc2ccccc2)n1)c1cnc2ccccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 6/20 0.36
SCN9A Q15858 1/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
GABRA1 P14867 1/20 0.36
CFTR P13569 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
TRPV1 Q8NER1 2/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 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
SCHEMBL7736280 0.89 DAGLA (0.34) CYSLTR2CYSLTR1SMN1; SMN2SLC7A5DAGLA
SCHEMBL7732103 0.77 RAB9A (0.53) HDAC4HDAC1HDAC3HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL7735917 0.75 RAB9A (0.48) SCN9AHDAC4TRPV1NPC1MAPT
SCHEMBL7732373 0.71 TRPV1 (0.50) TRPV1NPC1MAPTNFKB1RAB9A
SCHEMBL7732335 0.71 CES1 (0.49) HDAC1HDAC8HDAC6DAGLA
SCHEMBL7723241 0.70 HDAC4 (0.40) SCN9AHDAC4HDAC1HDAC3HDAC7
SCHEMBL7733996 0.69 NPC1 (0.50) TRPV1NPC1MAPTNFKB1RAB9A
SCHEMBL7730488 0.68 BCHE (0.40) NPC1RAB9A
SCHEMBL7735550 0.68 TRPV1 (0.52) TRPV1NPC1MAPTNFKB1RAB9A
SCHEMBL7732052 0.67 RAB9A (0.43) HDAC1HDAC8HDAC6NPC1MAPT

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
US-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed