SCHEMBL31551409

SCHEMBL31551409

COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CC1)NC(=O)C[C@@H]1CCC(=O)N1Cc1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 3/20 0.42
▸ CTSL P07711 6/20 0.39
▸ PSMB5 P28074 2/20 0.39
▸ USP2 O75604 1/20 0.35
▸ REN P00797 2/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CFD P00746 1/20 0.34
▸ BIRC2 Q13490 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
SCHEMBL31551435 0.94 P2RX7 (0.44) P2RX7CTSLPSMB5CNR2CFD
SCHEMBL31551469 0.92 PSMB5 (0.37) P2RX7CTSLPSMB5USP2REN
SCHEMBL30862577 0.91 P2RX7 (0.47) P2RX7CNR2
SCHEMBL30862574 0.91 P2RX7 (0.47) P2RX7CNR2
SCHEMBL31551361 0.91 P2RX7 (0.42) P2RX7CFD
SCHEMBL31551359 0.90 CTSL (0.37) CTSLPSMB5USP2RENTAS1R3
SCHEMBL31551280 0.90 P2RX7 (0.42) P2RX7CTSLPSMB5CFD
SCHEMBL31551284 0.89 KMT2A (0.41) P2RX7
SCHEMBL31551661 0.89 KMT2A (0.41) P2RX7
SCHEMBL31551597 0.89 P2RX7 (0.43) P2RX7CTSLPSMB5USP2BIRC2

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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