SCHEMBL31551463

SCHEMBL31551463

COC(=O)CNC(=O)[C@@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cc(F)cc(F)c1F)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 12/20 0.34
▸ RIPK1 Q13546 2/20 0.34
▸ RORC P51449 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ FURIN P09958 1/20 0.31

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
SCHEMBL31551542 0.93 P2RX7 (0.33) P2RX7RIPK1RORCALDH1A1CYP2D6
SCHEMBL31551398 0.89 P2RX7 (0.47) P2RX7CYP2D6CYP2C9CYP2C19
SCHEMBL31551515 0.89 P2RX7 (0.47) P2RX7CYP2D6CYP2C9CYP2C19
SCHEMBL30862580 0.89 RIPK1 (0.36) P2RX7RIPK1ALDH1A1CYP2D6CYP2C9
SCHEMBL31551483 0.87 CTSL (0.34) P2RX7RORC
SCHEMBL31551176 0.87 RIPK1 (0.37) P2RX7RIPK1ALDH1A1CYP2D6CYP2C9
SCHEMBL31551454 0.86 RIPK1 (0.39) P2RX7RIPK1ALDH1A1CYP2D6CYP2C9
SCHEMBL31551474 0.85 RIPK1 (0.35) P2RX7RIPK1ALDH1A1CYP2D6CYP2C9
SCHEMBL31551351 0.85 P2RX7 (0.34) P2RX7RIPK1ALDH1A1CYP2D6CYP2C9
SCHEMBL31551536 0.84 RIPK1 (0.33) P2RX7RIPK1ALDH1A1CYP2D6CYP2C9

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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