SCHEMBL23678480

SCHEMBL23678480

CC(=N)OC(=N)CC(OC(N)=O)c1cc(OCCCC(F)(F)F)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.36
▸ FFAR1 O14842 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ MGAT2 Q10469 8/20 0.33
▸ KCNH2 Q12809 3/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ KCNE1 P15382 3/20 0.32
▸ KCNQ1 P51787 3/20 0.32
▸ PDK2 Q15119 1/20 0.31
▸ PDE2A O00408 1/20 0.31

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
SCHEMBL23678482 0.90 FFAR1 (0.38) FFAR1FFAR4
SCHEMBL23678416 0.90 MAOB (0.35) MAOBFFAR1FFAR4MGAT2KCNH2
SCHEMBL23678389 0.89 CYP2C9 (0.36) FFAR1
SCHEMBL23678379 0.86 KDM4E (0.38) MAOBFFAR1FFAR4PDK2
SCHEMBL23678329 0.86 MAOB (0.36) MAOBFFAR1FFAR4MGAT2KCNH2
SCHEMBL23678335 0.85 KLKB1 (0.31) —
SCHEMBL23678483 0.85 KLKB1 (0.30) —
SCHEMBL23678396 0.83 CACNA1B (0.41) MAOBKCNH2CACNA1B
SCHEMBL23678495 0.83 MAOB (0.38) MAOBFFAR1FFAR4MGAT2KCNH2
SCHEMBL23678388 0.83 MAOB (0.38) MAOBFFAR1FFAR4MGAT2KCNH2

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
EP-3854788-A1 COMPOUND CONTAINING OXADIAZOLE, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME SK Biopharmaceuticals Co., Ltd. (KR) 2021-07-28 — — EP disclosed
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