SCHEMBL28354520

SCHEMBL28354520

CC(C)(C)OC(=O)NCCOc1nccc2cc(C(F)(F)F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 6/20 0.44
▸ PDK2 Q15119 1/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CYP1A1 P04798 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2B6 P20813 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CYP3A43 Q9HB55 1/20 0.41
▸ LATS1 O95835 1/20 0.40
▸ SCN9A Q15858 2/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ P2RY14 Q15391 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ DYRK1A Q13627 1/20 0.38
▸ ITK Q08881 1/20 0.38

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
SCHEMBL20595192 0.85 GRM4 (0.41) GRM4SCN9A
SCHEMBL28350687 0.81 AXL (0.46) PDK2CA12CA1CA2CA9
SCHEMBL24690271 0.78 CA12 (0.64) PDK2CA12CA1CA2CA9
SCHEMBL28354796 0.77 SCN9A (0.48) PDK2CA12CA1CA2CA9
SCHEMBL28350960 0.76 SSTR4 (0.47) PDK2CA12CA1CA2CA9
SCHEMBL3599285 0.76 PDK2 (0.49) PDK2CA12CA1CA2CA9
SCHEMBL28354716 0.75 GRM4 (0.41) GRM4SCN9A
SCHEMBL3451508 0.75 RXRA (0.47) PDK2CA12CA1CA2CA9
SCHEMBL10086789 0.74 CA12 (0.46) PDK2CA12CA1CA2CA9
SCHEMBL28350963 0.74 CA12 (0.46) PDK2CA12CA1CA2CA9

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
Send feedback