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Sugi Predict / Compounds / SCHEMBL31551515

SCHEMBL31551515

SCHEMBL31551515

COC(=O)CNC(=O)[C@@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cccc(F)c1F)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 13/20 0.47
▸ GPR119 Q8TDV5 1/20 0.38
▸ SLC1A2 P43004 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL31551398 1.00 P2RX7 (0.47) P2RX7GPR119SLC1A2POLBCYP2D6
SCHEMBL31551633 0.94 P2RX7 (0.45) P2RX7GPR119POLBCYP2D6CYP2C9
SCHEMBL31551461 0.94 P2RX7 (0.45) P2RX7GPR119SLC1A2POLB
SCHEMBL31551224 0.94 P2RX7 (0.45) P2RX7GPR119POLBCYP2D6CYP2C9
SCHEMBL31551575 0.93 P2RX7 (0.45) P2RX7GPR119SLC1A2POLB
SCHEMBL31551578 0.92 P2RX7 (0.45) P2RX7GPR119SLC1A2POLBCYP2D6
SCHEMBL31551611 0.92 P2RX7 (0.48) P2RX7GPR119SLC1A2POLB
SCHEMBL31551221 0.91 P2RX7 (0.38) P2RX7GPR119SLC1A2POLB
SCHEMBL31551344 0.91 P2RX7 (0.47) P2RX7GPR119SLC1A2POLB
Lithium Ion SCHEMBL31551286 0.90 P2RX7 (0.47) P2RX7GPR119SLC1A2POLB

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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