SCHEMBL25145987

SCHEMBL25145987

C=CCC(F)(F)c1ccc(S(=O)(=O)N2CCC3(CC2)CN(C(=O)N2CC4(COC(=O)N4)C2)C3)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 19/20 0.39
▸ CACNA1B Q00975 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
SCHEMBL30409788 0.89 MGLL (0.44) MGLLCACNA1B
SCHEMBL25146103 0.81 CACNA1B (0.41) MGLLCACNA1B
SCHEMBL25145968 0.79 CACNA1B (0.40) MGLLCACNA1B
SCHEMBL25146124 0.75 MGLL (0.43) MGLLCACNA1B
SCHEMBL30409323 0.75 MGLL (0.43) MGLLCACNA1B
SCHEMBL30409855 0.73 MGLL (0.46) MGLL
SCHEMBL25146318 0.73 MGLL (0.46) MGLL
SCHEMBL25145869 0.72 MGLL (0.36) MGLL
SCHEMBL25146080 0.71 MGLL (0.47) MGLL
SCHEMBL30409778 0.70 EPHX2 (0.40) MGLL

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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