SCHEMBL23287978

SCHEMBL23287978

CC(C)(C)OC(=O)Cc1ccc(Cl)c(C(=O)Nc2c(F)cc(C#Cc3ccccc3)cc2F)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.38
▸ GRM5 P41594 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FFAR1 O14842 2/20 0.35
▸ FFAR4 Q5NUL3 2/20 0.35
▸ ACACB O00763 2/20 0.35
▸ AKR1C2 P52895 1/20 0.34
▸ AKR1C1 Q04828 1/20 0.34
▸ PTGES O14684 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ DHODH Q02127 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
SCHEMBL27240040 0.83 GRM5 (0.41) PPARGGRM5SMN1; SMN2
SCHEMBL27240259 0.78 GRM5 (0.38) PPARGGRM5SMN1; SMN2
SCHEMBL23288040 0.75 EGFR (0.39) GRM5
SCHEMBL27240244 0.74 GRM5 (0.42) PPARGGRM5SMN1; SMN2PTGES
SCHEMBL23288045 0.72 GRM5 (0.35) GRM5ACACB
SCHEMBL23287980 0.72 NPC1 (0.39) PPARGGRM5SMN1; SMN2
SCHEMBL23288021 0.70 MRGPRX4 (0.43) PPARGSMN1; SMN2
SCHEMBL29827331 0.70 GRM5 (0.42) PPARGGRM5SMN1; SMN2
SCHEMBL23273849 0.70 GRM5 (0.42) PPARGGRM5SMN1; SMN2
SCHEMBL23287976 0.69 KDM4E (0.57) SMN1; SMN2

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
WO-2021080013-A1 INHIBITORS OF TREK (TWIK RELATED K+ CHANNELS) CHANNEL FUNCTION ONO PHARMACEUTICAL CO., LTD. (JP) 2021-04-29 — — WO disclosed
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