SCHEMBL31706989

SCHEMBL31706989

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 17/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 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
SCHEMBL30862574 0.91 P2RX7 (0.47) P2RX7CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL30862577 0.91 P2RX7 (0.47) P2RX7CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL31705653 0.90 ITGB1 (0.40) P2RX7MAPTHTTMEN1GAA
SCHEMBL31551435 0.88 P2RX7 (0.44) P2RX7CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL31706618 0.88 CYP2D6 (0.50) P2RX7CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL31706986 0.86 P2RX7 (0.40) P2RX7CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL31705744 0.85 P2RX7 (0.41) P2RX7CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL31705169 0.84 P2RX7 (0.39) P2RX7CYP2D6CYP2C9CYP2C19
SCHEMBL31706974 0.84 ITGB1 (0.47) P2RX7CYP2D6CYP2C9CYP2C19
SCHEMBL31706835 0.83 P2RX7 (0.44) P2RX7CYP2D6CYP2C9CYP2C19MAPT

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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