SCHEMBL25772491

SCHEMBL25772491

Cn1c(-c2cccc(C#N)c2)nc(C(=O)N2CC[C@H](C(=O)O)C2)c1CCCCOCc1cccc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 4/20 0.37
▸ CD274 Q9NZQ7 4/20 0.37
▸ GBA1 P04062 1/20 0.36
▸ UGCG Q16739 1/20 0.36
▸ GBA2 Q9HCG7 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ S1PR1 P21453 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.35
▸ ACSL1 P33121 1/20 0.35
▸ CCR5 P51681 2/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ KDM5A P29375 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 0.88 MGLL (0.37) PDCD1CD274GBA1UGCGGBA2
SCHEMBL25772437 0.86 S1PR1 (0.38) NOTUMS1PR1S1PR5CCR5CYP4F2
SCHEMBL25772368 0.85 GBA1 (0.36) PDCD1CD274GBA1UGCGGBA2
SCHEMBL25781207 0.80 CYP4F2 (0.37) NOTUMS1PR1S1PR5CCR5CYP4F2
SCHEMBL25772307 0.77 CYP4F2 (0.37) NOTUMS1PR1S1PR5CCR5PDE4A
SCHEMBL25782854 0.76 S1PR1 (0.40) NOTUMS1PR1S1PR5CCR5CYP4F2
SCHEMBL25783158 0.76 S1PR1 (0.40) NOTUMS1PR1S1PR5CCR5CYP4F2
SCHEMBL25772189 0.76 CYP4F2 (0.38) S1PR1S1PR5CYP4F2CYP4A11ALDH1A1
SCHEMBL25772370 0.75 MGLL (0.36) GBA1UGCGGBA2S1PR1S1PR5
SCHEMBL25781205 0.75 CYP4F2 (0.39) NOTUMS1PR1S1PR5CYP4F2CYP4A11

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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