SCHEMBL31705668

SCHEMBL31705668

CC(C)[C@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cc(F)cc(F)c1Cl)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 16/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ SDCBP O00560 1/20 0.33
▸ SDC2 P34741 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
SCHEMBL31705324 0.91 P2RX7 (0.36) P2RX7ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL31551176 0.91 RIPK1 (0.37) P2RX7ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL31706280 0.87 P2RX7 (0.41) P2RX7
SCHEMBL31705730 0.87 P2RX7 (0.45) P2RX7ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL31705296 0.87 P2RX7 (0.40) P2RX7ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL31706273 0.86 SDCBP (0.40) P2RX7ALDH1A1SDCBPSDC2
SCHEMBL31705736 0.84 TSHR (0.39) P2RX7ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL31706035 0.84 METAP2 (0.40) P2RX7ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL31705293 0.83 SLC1A2 (0.44) P2RX7ALDH1A1CYP2D6CYP2C9TSHR
SCHEMBL30862568 0.82 P2RX7 (0.33) P2RX7ALDH1A1CYP2D6CYP2C9TSHR

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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