SCHEMBL25772189

SCHEMBL25772189

Cn1c(CCCCOCc2cccc(Cl)c2)c(C(=O)N2CCC[C@H](C(=O)O)C2)c2cc(C#N)cnc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.38
▸ CYP4A11 Q02928 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.34
▸ MAPK1 P28482 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
SCHEMBL25781207 0.96 CYP4F2 (0.37) CYP4F2CYP4A11S1PR1S1PR5
SCHEMBL25772135 0.89 CYP4F2 (0.37) CYP4F2CYP4A11L3MBTL1S1PR5NPC1
SCHEMBL25773868 0.88 CCR5 (0.35) CYP4F2CYP4A11S1PR1S1PR5
SCHEMBL25772187 0.88 FNTA (0.35) HRH3
SCHEMBL25781205 0.86 CYP4F2 (0.39) CYP4F2CYP4A11S1PR1S1PR5ALDH1A1
SCHEMBL25772697 0.85 KMT2A (0.34) —
SCHEMBL25772194 0.84 RORC (0.38) CYP4F2CYP4A11S1PR1S1PR5LMNA
SCHEMBL25771786 0.79 OXER1 (0.38) CYP4F2CYP4A11S1PR1S1PR5
SCHEMBL25781417 0.79 OXER1 (0.43) —
SCHEMBL25775002 0.78 CYP4F2 (0.39) CYP4F2CYP4A11S1PR1S1PR5

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
Send feedback