SCHEMBL28354716

SCHEMBL28354716

NC(=O)OCCOc1nccc2cc(C(F)(F)F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 11/20 0.41
▸ NR3C2 P08235 2/20 0.41
▸ CNR2 P34972 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ RET P07949 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ KDR P35968 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
SCHEMBL22809609 0.82 PRKCH (0.42) GRM4SCN9A
Hydrochloric Acid SCHEMBL20595188 0.81 PRKCH (0.41) GRM4SCN9A
Hydrochloric Acid SCHEMBL30449677 0.81 PRKCH (0.41) GRM4SCN9A
SCHEMBL20595192 0.80 GRM4 (0.41) GRM4CNR2SCN9A
SCHEMBL28351290 0.78 CLK4 (0.42) NR3C2AURKBFLT4KDR
SCHEMBL28354520 0.75 GRM4 (0.44) GRM4SCN9A
SCHEMBL29151897 0.74 KIF11 (0.54) —
SCHEMBL28350726 0.74 BACE1 (0.47) SCN9A
SCHEMBL28354510 0.71 PPARD (0.50) —
SCHEMBL2364381 0.70 TAAR1 (0.52) NR3C2

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
CN-110612285-B Amide derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2023-04-04 — — CN disclosed
CN-110612285-A Amide derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2019-12-24 — — CN disclosed
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