SCHEMBL31706731

SCHEMBL31706731

O=C(C[C@@H]1CCC(=O)N1Cc1cc(F)cc(Cl)c1)N[C@@H](CC1CC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 2/20 0.45
▸ SORT1 Q99523 2/20 0.45
▸ ITGB1 P05556 6/20 0.39
▸ ITGA4 P13612 6/20 0.39
▸ P2RX7 Q99572 3/20 0.38
▸ METAP2 P50579 3/20 0.34
▸ CCKBR P32239 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL31705660 0.93 GRN (0.52) GRNSORT1ITGB1ITGA4P2RX7
SCHEMBL31706315 0.93 ITGB1 (0.40) GRNSORT1ITGB1ITGA4P2RX7
SCHEMBL31706402 0.86 ITGB1 (0.43) ITGB1ITGA4P2RX7
SCHEMBL31705164 0.86 P2RX7 (0.46) GRNSORT1ITGB1ITGA4P2RX7
SCHEMBL31706398 0.85 ITGB1 (0.52) GRNSORT1ITGB1ITGA4P2RX7
SCHEMBL31706035 0.85 METAP2 (0.40) ITGB1ITGA4P2RX7METAP2ALDH1A1
SCHEMBL31706967 0.83 GRN (0.43) GRNSORT1ITGB1ITGA4P2RX7
SCHEMBL31705417 0.83 CTSL (0.36) ITGB1ITGA4P2RX7ALDH1A1CYP2D6
SCHEMBL31705155 0.82 P2RX7 (0.43) GRNSORT1ITGB1ITGA4P2RX7
SCHEMBL31706737 0.82 GRN (0.39) GRNSORT1ITGB1ITGA4P2RX7

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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