SCHEMBL25772492

SCHEMBL25772492

Cn1c(-c2ccccc2C#N)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
▸ MGLL Q99685 1/20 0.37
▸ S1PR1 P21453 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ UGCG Q16739 1/20 0.34
▸ GBA2 Q9HCG7 1/20 0.34
▸ PDCD1 Q15116 8/20 0.34
▸ CD274 Q9NZQ7 8/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PADI4 Q9UM07 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL25772437 0.92 S1PR1 (0.38) S1PR1S1PR5MCL1CYP4F2CYP4A11
SCHEMBL25772491 0.88 PDCD1 (0.37) S1PR1S1PR5CYP4F2CYP4A11GBA1
SCHEMBL25772370 0.85 MGLL (0.36) MGLLS1PR1S1PR5MCL1CYP4F2
SCHEMBL25772436 0.80 OXER1 (0.43) —
SCHEMBL25783159 0.78 S1PR1 (0.39) S1PR1S1PR5CYP4F2CYP4A11ALDH1A1
SCHEMBL25772309 0.77 MEN1 (0.39) S1PR1S1PR5MCL1CYP4F2CYP4A11
SCHEMBL25783157 0.77 S1PR1 (0.39) S1PR1S1PR5CYP4F2CYP4A11LMNA
SCHEMBL25781207 0.77 CYP4F2 (0.37) MGLLS1PR1S1PR5MCL1CYP4F2
SCHEMBL25782854 0.76 S1PR1 (0.40) S1PR1S1PR5CYP4F2CYP4A11LMNA
SCHEMBL25783158 0.75 S1PR1 (0.40) MGLLS1PR1S1PR5CYP4F2CYP4A11

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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