SCHEMBL31705160

SCHEMBL31705160

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 18/20 0.40
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ GFER P55789 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
SCHEMBL31705169 0.93 P2RX7 (0.39) P2RX7CYP2D6CYP2C19CYP2C9
SCHEMBL30862575 0.91 P2RX7 (0.47) P2RX7CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL31706976 0.91 SLC1A2 (0.39) P2RX7CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL31706280 0.91 P2RX7 (0.41) P2RX7
SCHEMBL31706834 0.90 P2RX7 (0.49) P2RX7CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL31551583 0.88 P2RX7 (0.44) P2RX7CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL31706986 0.88 P2RX7 (0.40) P2RX7CYP2D6CYP2C19CYP2C9
SCHEMBL31706962 0.88 CYP2D6 (0.50) P2RX7CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL31705793 0.87 P2RX7 (0.39) P2RX7
SCHEMBL31706533 0.84 ITGB1 (0.45) P2RX7CYP2D6CYP2C19CYP2C9

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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