SCHEMBL19851263

SCHEMBL19851263

Cc1ccc(OC(F)(F)F)c(C#N)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.46
CTSS P25774 4/20 0.38
CTSK P43235 4/20 0.38
GRM2 Q14416 4/20 0.35
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
XDH P47989 1/20 0.33
DHODH Q02127 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
PDE2A O00408 1/20 0.32

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
SCHEMBL19844892 0.79 MBOAT4 (0.40) MBOAT4CTSSCTSKUSP8USP7
SCHEMBL19837398 0.79 MBOAT4 (0.40) MBOAT4CTSSCTSKUSP8USP7
SCHEMBL19837353 0.79 MBOAT4 (0.40) MBOAT4CTSSCTSKUSP8USP7
SCHEMBL22162413 0.78 USP8 (0.47) USP8USP7
Hydrochloric Acid SCHEMBL19837354 0.78 MBOAT4 (0.40) MBOAT4CTSSCTSKXDHHRH4
SCHEMBL19837356 0.76 MBOAT4 (0.38) MBOAT4CTSSCTSK
SCHEMBL19225705 0.73 S1PR4 (0.43) MBOAT4GRM2PDE2A
SCHEMBL18150040 0.73 MBOAT4 (0.43) MBOAT4
SCHEMBL22917964 0.72 L3MBTL1 (0.41) GRM2HRH4
SCHEMBL28298070 0.72 MBOAT4 (0.33) MBOAT4CTSSCTSK

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-3494120-B1 OXADIAZOLOPYRIDINE DERIVATIVES FOR USE AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-17 EP disclosed
WO-2018024653-A1 OXADIAZOLOPYRIDINE DERIVATES FOR USE AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-08 WO disclosed