SCHEMBL31551279

SCHEMBL31551279

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 11/20 0.44
▸ GPR119 Q8TDV5 1/20 0.36
▸ POLB P06746 1/20 0.33
▸ CAPN1 P07384 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL31551610 0.93 P2RX7 (0.44) P2RX7GPR119POLB
SCHEMBL31551217 0.92 P2RX7 (0.45) P2RX7GPR119CAPN1
SCHEMBL31551613 0.90 P2RX7 (0.45) P2RX7GPR119POLBCYP2D6CYP2C9
SCHEMBL31551313 0.89 P2RX7 (0.49) P2RX7GPR119POLB
SCHEMBL30862586 0.89 P2RX7 (0.48) P2RX7GPR119POLBCYP2D6CYP2C9
SCHEMBL30862585 0.89 P2RX7 (0.48) P2RX7GPR119POLBCYP2D6CYP2C9
SCHEMBL31551473 0.89 RIPK1 (0.36) P2RX7CYP2D6CYP2C9CYP2C19
SCHEMBL31551216 0.88 P2RX7 (0.43) P2RX7POLBCAPN1CYP2D6CYP2C9
SCHEMBL31551219 0.88 P2RX7 (0.45) P2RX7GPR119POLBCYP2D6CYP2C9
SCHEMBL31551281 0.87 P2RX7 (0.46) P2RX7GPR119POLBCYP2D6CYP2C9

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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