SCHEMBL31551579

SCHEMBL31551579

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 8/20 0.46
▸ PSMB5 P28074 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.35
▸ SLC1A2 P43004 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL31551594 1.00 P2RX7 (0.46) P2RX7PSMB5MEN1KMT2AGPR119
SCHEMBL31551181 1.00 P2RX7 (0.46) P2RX7PSMB5MEN1KMT2AGPR119
SCHEMBL30862586 0.96 P2RX7 (0.48) P2RX7PSMB5MEN1KMT2AGPR119
SCHEMBL30862585 0.96 P2RX7 (0.48) P2RX7PSMB5MEN1KMT2AGPR119
SCHEMBL31551349 0.96 P2RX7 (0.44) P2RX7PSMB5MEN1KMT2AGPR119
SCHEMBL31551479 0.95 P2RX7 (0.43) P2RX7PSMB5MEN1KMT2AGPR119
SCHEMBL31551196 0.95 P2RX7 (0.43) P2RX7PSMB5MEN1KMT2AGPR119
SCHEMBL31551258 0.94 P2RX7 (0.45) P2RX7GPR119POLBCYP2D6CYP2C9
SCHEMBL31551598 0.94 P2RX7 (0.45) P2RX7PSMB5MEN1KMT2AGPR119
SCHEMBL31551274 0.92 P2RX7 (0.43) P2RX7PSMB5GPR119SLC1A2POLB

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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