SCHEMBL31551217

SCHEMBL31551217

CC(C)[C@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cccc(F)c1F)C(=O)OCC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 15/20 0.45
▸ GPR119 Q8TDV5 1/20 0.37
▸ CAPN1 P07384 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
SCHEMBL31551371 0.93 P2RX7 (0.43) P2RX7GPR119CAPN1
SCHEMBL31551279 0.92 P2RX7 (0.44) P2RX7GPR119CAPN1
SCHEMBL31551313 0.91 P2RX7 (0.49) P2RX7GPR119
SCHEMBL30862585 0.90 P2RX7 (0.48) P2RX7GPR119
SCHEMBL30862586 0.90 P2RX7 (0.48) P2RX7GPR119
SCHEMBL31551466 0.89 P2RX7 (0.46) P2RX7GPR119
SCHEMBL31551193 0.89 P2RX7 (0.46) P2RX7GPR119
SCHEMBL31551281 0.89 P2RX7 (0.46) P2RX7GPR119
SCHEMBL31551306 0.89 P2RX7 (0.47) P2RX7GPR119
SCHEMBL31551613 0.88 P2RX7 (0.45) P2RX7GPR119

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-2025080861-A1 5-MEMBERED RING-BASED MOLECULES AND THEIR USE AS HERBICIDES CORTEVA AGRISCIENCE LLC (US) 2025-04-17 — — WO disclosed
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