SCHEMBL25772602

SCHEMBL25772602

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

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OXER1 Q8TDS5 18/20 0.51
▸ MAOB P27338 1/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37

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 0.93 OXER1 (0.45) OXER1MAOBFFAR1FFAR4
SCHEMBL25774390 0.93 OXER1 (0.45) OXER1MAOBFFAR1FFAR4
SCHEMBL25774731 0.91 OXER1 (0.43) OXER1MAOBFFAR1FFAR4
SCHEMBL25777267 0.91 OXER1 (0.57) OXER1MAOB
SCHEMBL25773360 0.91 OXER1 (0.58) OXER1
SCHEMBL25775008 0.91 OXER1 (0.46) OXER1
SCHEMBL25777311 0.90 OXER1 (0.62) OXER1
SCHEMBL25771317 0.90 OXER1 (0.53) OXER1MAOB
SCHEMBL25774732 0.89 OXER1 (0.42) OXER1MAOBFFAR1FFAR4
SCHEMBL25777609 0.89 OXER1 (0.44) 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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