SCHEMBL25781207

SCHEMBL25781207

Cn1c(CCCCOCc2cccc(Cl)c2)c(C(=O)N2CC[C@H](C(=O)O)C2)c2cc(C#N)cnc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 4/20 0.37
▸ CYP4A11 Q02928 4/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ MCL1 Q07820 2/20 0.36
▸ CCR5 P51681 2/20 0.34
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ PGGT1B P53609 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ MGLL Q99685 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ NOTUM Q6P988 2/20 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
SCHEMBL25772189 0.96 CYP4F2 (0.38) CYP4F2CYP4A11S1PR1S1PR5
SCHEMBL25772135 0.93 CYP4F2 (0.37) CYP4F2CYP4A11S1PR5MCL1GRM5
SCHEMBL25773868 0.92 CCR5 (0.35) CYP4F2CYP4A11S1PR1S1PR5MCL1
SCHEMBL25772187 0.90 FNTA (0.35) CCR5FNTAFNTBPGGT1BKCNH2
SCHEMBL25781205 0.90 CYP4F2 (0.39) CYP4F2CYP4A11S1PR1S1PR5MCL1
SCHEMBL25772194 0.88 RORC (0.38) CYP4F2CYP4A11S1PR1S1PR5MCL1
SCHEMBL25772697 0.86 KMT2A (0.34) FNTAFNTBPGGT1BKCNH2GRM5
SCHEMBL25771786 0.83 OXER1 (0.38) CYP4F2CYP4A11S1PR1S1PR5MCL1
SCHEMBL25775002 0.82 CYP4F2 (0.39) CYP4F2CYP4A11S1PR1S1PR5NOTUM
SCHEMBL25781203 0.82 MCL1 (0.39) CYP4F2CYP4A11S1PR1S1PR5MCL1

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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