SCHEMBL31706531

SCHEMBL31706531

COC(=O)[C@@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cc(Cl)ccc1F)[C@@H](C)OC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 14/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ XIAP P98170 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL31705793 0.93 P2RX7 (0.39) P2RX7MAPTHTTALDH1A1LMNA
SCHEMBL31706840 0.93 P2RX7 (0.40) P2RX7MAPTHTTALDH1A1LMNA
SCHEMBL31706830 0.92 P2RX7 (0.43) P2RX7MAPTHTTALDH1A1LMNA
SCHEMBL31706724 0.92 P2RX7 (0.38) P2RX7HTTALDH1A1XIAP
SCHEMBL31705395 0.88 SLC1A2 (0.39) P2RX7MAPTHTTLMNAMEN1
SCHEMBL31705169 0.87 P2RX7 (0.39) P2RX7
SCHEMBL31706273 0.85 SDCBP (0.40) P2RX7MAPTHTTALDH1A1LMNA
SCHEMBL31706276 0.85 P2RX7 (0.49) P2RX7MAPTHTTALDH1A1LMNA
SCHEMBL31705665 0.85 P2RX7 (0.45) P2RX7
SCHEMBL31706981 0.85 P2RX7 (0.43) P2RX7MAPTHTTALDH1A1LMNA

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-2025217020-A1 SUBSTITUTED 5-MEMBERED RING MOLECULES AND THEIR USE AS PESTICIDES CORTEVA AGRISCIENCE LLC (US) 2025-10-16 — — WO disclosed
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