SCHEMBL31705653

SCHEMBL31705653

O=C(C[C@@H]1CCC(=O)N1Cc1cccc(F)c1Cl)N[C@@H](CC1CC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 2/20 0.40
▸ ITGA4 P13612 2/20 0.40
▸ P2RX7 Q99572 16/20 0.40
▸ GRN P28799 1/20 0.39
▸ SORT1 Q99523 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL30862584 0.91 P2RX7 (0.47) ITGB1ITGA4P2RX7GRNSORT1
SCHEMBL31706978 0.91 ITGB1 (0.42) ITGB1ITGA4P2RX7GRNSORT1
SCHEMBL31706989 0.90 P2RX7 (0.39) P2RX7MEN1GAAMAPTHTT
SCHEMBL31706282 0.90 P2RX7 (0.49) ITGB1ITGA4P2RX7GRNSORT1
SCHEMBL31706967 0.87 GRN (0.43) ITGB1ITGA4P2RX7GRNSORT1
SCHEMBL31706542 0.87 HTT (0.50) ITGB1ITGA4P2RX7GRNSORT1
SCHEMBL31705155 0.84 P2RX7 (0.43) ITGB1ITGA4P2RX7GRNSORT1
SCHEMBL31706280 0.84 P2RX7 (0.41) P2RX7
SCHEMBL31706737 0.84 GRN (0.39) ITGB1ITGA4P2RX7GRNSORT1
SCHEMBL31706398 0.83 ITGB1 (0.52) ITGB1ITGA4P2RX7GRNSORT1

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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