SCHEMBL25772187

SCHEMBL25772187

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 5/20 0.35
▸ FNTB P49356 5/20 0.35
▸ PGGT1B P53609 3/20 0.35
▸ KCNH2 Q12809 3/20 0.35
▸ GRM5 P41594 2/20 0.33
▸ CCR5 P51681 2/20 0.32
▸ ENPP2 Q13822 2/20 0.32
▸ THRB P10828 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ PREP P48147 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PGR P06401 1/20 0.31

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 0.90 CYP4F2 (0.37) FNTAFNTBPGGT1BKCNH2GRM5
SCHEMBL25772189 0.88 CYP4F2 (0.38) HRH3
SCHEMBL25772697 0.86 KMT2A (0.34) FNTAFNTBPGGT1BKCNH2GRM5
SCHEMBL25772135 0.83 CYP4F2 (0.37) GRM5
SCHEMBL25773868 0.82 CCR5 (0.35) FNTAFNTBPGGT1BKCNH2CCR5
SCHEMBL25781205 0.80 CYP4F2 (0.39) KCNH2
SCHEMBL25781417 0.79 OXER1 (0.43) GRM5
SCHEMBL25772194 0.78 RORC (0.38) —
SCHEMBL25781504 0.78 EGLN2 (0.35) GRM5HPGD
SCHEMBL25772874 0.77 MAOB (0.38) GRM5

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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