SCHEMBL23678488

SCHEMBL23678488

CC(=N)OC(=N)CC(O)c1cc(OCCCC(F)(F)F)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.38
▸ PDE2A O00408 5/20 0.36
▸ MAOA P21397 1/20 0.33
▸ KCNE1 P15382 3/20 0.33
▸ KCNQ1 P51787 3/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ MGAT2 Q10469 3/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MOGAT2 Q3SYC2 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ PTGES O14684 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ CACNA1B Q00975 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
SCHEMBL23678359 0.88 MAOB (0.38) MAOBPDE2AMAOAKCNE1KCNQ1
SCHEMBL23678495 0.88 MAOB (0.38) MAOBPDE2AMAOAKCNE1KCNQ1
SCHEMBL23678388 0.88 MAOB (0.38) MAOBPDE2AMAOAKCNE1KCNQ1
SCHEMBL23678416 0.83 MAOB (0.35) MAOBPDE2AKCNE1KCNQ1KCNH2
SCHEMBL23678412 0.80 KCNH2 (0.39) MAOBKCNH2ALOX5CACNA1B
SCHEMBL23678320 0.76 MCL1 (0.37) FFAR4
SCHEMBL23678409 0.75 CYP17A1 (0.41) PDE2ACYP2C9
SCHEMBL23678378 0.74 PDE2A (0.37) PDE2AKCNH2CYP2C9
SCHEMBL23678196 0.72 MAOB (0.38) MAOBPDE2AMAOAKCNH2CACNA1B
SCHEMBL23678461 0.72 KDM4E (0.41) —

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
Send feedback