SCHEMBL29058645

SCHEMBL29058645

FC(F)(F)Oc1cccc([Mg]Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 3/20 0.41
▸ PIM1 P11309 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ MPI P34949 1/20 0.39
▸ GPR3 P46089 2/20 0.39
▸ KIF11 P52732 2/20 0.38
▸ P2RX1 P51575 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ XDH P47989 1/20 0.36
▸ GALR1 P47211 1/20 0.36
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL30488629 0.81 CETP (0.33) CETPPIM1PIM2MPIGPR3
SCHEMBL31308775 0.81 CETP (0.41) CETPPIM1PIM2MPIGPR3
SCHEMBL624234 0.81 CETP (0.41) CETPPIM1PIM2MPIGPR3
SCHEMBL7850246 0.81 KIF11 (0.38) CETPKIF11
SCHEMBL3147185 0.79 GPR3 (0.50) CETPPIM1PIM2MPIGPR3
SCHEMBL21225856 0.77 DRD1 (0.42) DAOEPHX2
SCHEMBL255377 0.74 P2RX1 (0.50) MPIGPR3P2RX1
SCHEMBL29893341 0.74 P2RX1 (0.50) MPIGPR3P2RX1
SCHEMBL98062 0.74 GPR3 (0.42) CETPPIM1PIM2MPIGPR3
SCHEMBL1794814 0.74 ACHE (0.50) —

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
CN-111655700-B Oxadiazolopyridine derivatives as ghrelin O-acyltransferase (GOAT) inhibitors 勃林格殷格翰国际有限公司 2023-07-18 — — CN disclosed
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