SCHEMBL30011240

SCHEMBL30011240

CS(=O)(=O)c1ccc(CC2CC3(C2)CN(C(=O)N2CC4(CC(c5ccc(C(F)(F)F)nc5)C4)C2)C3)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.40
▸ NR1H2 P55055 11/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ NR1H3 Q13133 9/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.34
▸ SSTR4 P31391 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.32

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
SCHEMBL27246292 1.00 MGLL (0.40) MGLLNR1H2PTGDR2NR1H3TRPV4
SCHEMBL30012545 0.89 MGLL (0.40) MGLLNR1H2NR1H3GPBAR1
SCHEMBL30013112 0.87 NR1H2 (0.41) MGLLNR1H2NR1H3
SCHEMBL27246348 0.87 NR1H2 (0.41) MGLLNR1H2NR1H3
SCHEMBL30012263 0.85 MGLL (0.42) MGLLHRH3
SCHEMBL27246270 0.85 MGLL (0.42) MGLLHRH3
SCHEMBL30011692 0.83 MGLL (0.39) MGLLTRPV4HRH3
SCHEMBL27149525 0.83 MGLL (0.39) MGLLTRPV4HRH3
SCHEMBL25326309 0.82 MGLL (0.43) MGLLPTGDR2
SCHEMBL25326670 0.82 MGLL (0.43) MGLLPTGDR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP claimed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN claimed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 — — WO claimed
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP disclosed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN disclosed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 — — WO disclosed
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