SCHEMBL25145671

SCHEMBL25145671

CS(=O)(=O)c1ccc(O[C@H]2CCC3(CNC3)C2)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.36
▸ CNR2 P34972 7/20 0.35
▸ CNR1 P21554 4/20 0.35
▸ ABHD6 Q9BV23 2/20 0.35
▸ FAAH O00519 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ AR P10275 2/20 0.34
▸ CTSS P25774 1/20 0.34
▸ ABCB11 O95342 1/20 0.33
▸ EPHX2 P34913 1/20 0.31
▸ SLC9A3 P48764 1/20 0.31
▸ TRPV4 Q9HBA0 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
SCHEMBL31239638 1.00 ALOX5AP (0.36) ALOX5APFEN1GPR119CNR2CNR1
SCHEMBL25325345 0.76 ABHD6 (0.40) ALOX5APFEN1GPR119ABHD6FAAH
SCHEMBL25325348 0.76 ABHD6 (0.40) ALOX5APFEN1GPR119ABHD6FAAH
SCHEMBL25145962 0.76 CNR2 (0.36) CNR2CNR1
SCHEMBL31239653 0.76 CNR2 (0.36) CNR2CNR1
SCHEMBL30410134 0.76 MGLL (0.43) ABHD6FAAHMGLL
SCHEMBL25146290 0.76 MGLL (0.43) ABHD6FAAHMGLL
SCHEMBL29427117 0.72 DDB1 (0.44) ABHD6FAAHMGLL
SCHEMBL26631392 0.72 DDB1 (0.44) ABHD6FAAHMGLL
SCHEMBL27246542 0.70 PTGDR2 (0.35) CNR2CNR1ABCB11

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-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — WO disclosed
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