SCHEMBL25777386

SCHEMBL25777386

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

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OXER1 Q8TDS5 18/20 0.51
▸ FFAR2 O15552 1/20 0.37
▸ MRGPRX4 Q96LA9 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
SCHEMBL25772192 0.92 OXER1 (0.41) OXER1MRGPRX4
SCHEMBL25777267 0.91 OXER1 (0.57) OXER1
SCHEMBL25774732 0.89 OXER1 (0.42) OXER1
SCHEMBL25772251 0.87 OXER1 (0.63) OXER1
SCHEMBL25772252 0.87 OXER1 (0.63) OXER1
SCHEMBL25773212 0.87 OXER1 (0.51) OXER1
SCHEMBL25774235 0.87 OXER1 (0.51) OXER1
SCHEMBL25771317 0.87 OXER1 (0.53) OXER1
SCHEMBL25777311 0.85 OXER1 (0.62) OXER1
SCHEMBL25774022 0.85 OXER1 (0.49) OXER1

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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