SCHEMBL25774390

SCHEMBL25774390

C[C@@H](CC(=O)O)CC(=O)c1c(CCCCOCc2cccc(C#N)c2)n(C)c2ncc(C#N)cc12

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OXER1 Q8TDS5 17/20 0.45
▸ MAOB P27338 1/20 0.40
▸ FFAR1 O14842 2/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL25774388 1.00 OXER1 (0.45) OXER1MAOBFFAR1FFAR4
SCHEMBL25771372 0.95 OXER1 (0.51) OXER1
SCHEMBL25783329 0.95 OXER1 (0.51) OXER1
SCHEMBL25771371 0.95 OXER1 (0.51) OXER1
SCHEMBL25774793 0.94 OXER1 (0.51) OXER1
SCHEMBL25774791 0.94 OXER1 (0.51) OXER1
SCHEMBL25772759 0.93 OXER1 (0.45) OXER1MAOBFFAR1
SCHEMBL25773470 0.93 OXER1 (0.45) OXER1MAOBFFAR1
SCHEMBL25772757 0.93 OXER1 (0.45) OXER1MAOBFFAR1
SCHEMBL25772602 0.93 OXER1 (0.51) OXER1MAOBFFAR1FFAR4

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-2023115203-A1 OXER1 ANTAGONISTS AND USES THEREOF FAIRHAVEN PHARMACEUTICALS INC. (CA) 2023-06-29 — — WO disclosed
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