SCHEMBL31706986

SCHEMBL31706986

COC(=O)[C@@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cccc(F)c1Cl)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 17/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL31705169 0.93 P2RX7 (0.39) P2RX7CYP2D6CYP2C9CYP2C19
SCHEMBL31706280 0.91 P2RX7 (0.41) P2RX7
SCHEMBL30862586 0.91 P2RX7 (0.48) P2RX7CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL30862585 0.91 P2RX7 (0.48) P2RX7CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL31706020 0.91 SLC1A2 (0.43) P2RX7CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL31705154 0.89 P2RX7 (0.50) P2RX7CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL31551594 0.88 P2RX7 (0.46) P2RX7CYP2D6CYP2C9CYP2C19
SCHEMBL31551579 0.88 P2RX7 (0.46) P2RX7CYP2D6CYP2C9CYP2C19
SCHEMBL31705160 0.88 P2RX7 (0.40) P2RX7CYP2D6CYP2C9CYP2C19
SCHEMBL31551181 0.88 P2RX7 (0.46) P2RX7CYP2D6CYP2C9CYP2C19

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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