SCHEMBL25772437

SCHEMBL25772437

Cn1c(-c2ccccc2Cl)nc(C(=O)N2CC[C@H](C(=O)O)C2)c1CCCCOCc1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.38
▸ S1PR5 Q9H228 1/20 0.38
▸ CYP4F2 P78329 1/20 0.37
▸ CYP4A11 Q02928 1/20 0.37
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MCL1 Q07820 2/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ CCR5 P51681 2/20 0.35
▸ GAA P10253 1/20 0.34

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
SCHEMBL25772492 0.92 MGLL (0.37) S1PR1S1PR5CYP4F2CYP4A11MEN1
SCHEMBL25772491 0.86 PDCD1 (0.37) S1PR1S1PR5CYP4F2CYP4A11ALDH1A1
SCHEMBL25783159 0.85 S1PR1 (0.39) S1PR1S1PR5CYP4F2CYP4A11MEN1
SCHEMBL25772309 0.84 MEN1 (0.39) S1PR1S1PR5CYP4F2CYP4A11MEN1
SCHEMBL25783157 0.83 S1PR1 (0.39) S1PR1S1PR5CYP4F2CYP4A11MEN1
SCHEMBL25782854 0.80 S1PR1 (0.40) S1PR1S1PR5CYP4F2CYP4A11MEN1
SCHEMBL25781205 0.78 CYP4F2 (0.39) S1PR1S1PR5CYP4F2CYP4A11MEN1
SCHEMBL25783158 0.78 S1PR1 (0.40) S1PR1S1PR5CYP4F2CYP4A11MEN1
SCHEMBL25772307 0.77 CYP4F2 (0.37) S1PR1S1PR5CYP4F2CYP4A11MEN1
SCHEMBL25775002 0.77 CYP4F2 (0.39) S1PR1S1PR5CYP4F2CYP4A11NOTUM

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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