SCHEMBL31706276

SCHEMBL31706276

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 7/20 0.49
▸ CYP2D6 P10635 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ HTT P42858 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL31706834 0.93 P2RX7 (0.49) P2RX7CYP2D6CYP2C19CYP2C9HTT
SCHEMBL31705154 0.93 P2RX7 (0.50) P2RX7CYP2D6CYP2C19CYP2C9HTT
SCHEMBL30862570 0.91 P2RX7 (0.47) P2RX7CYP2D6CYP2C19CYP2C9MEN1
SCHEMBL31706965 0.91 CYP2D6 (0.50) P2RX7CYP2D6CYP2C19CYP2C9HTT
SCHEMBL31705169 0.90 P2RX7 (0.39) P2RX7CYP2D6CYP2C19CYP2C9
SCHEMBL31551595 0.88 P2RX7 (0.44) P2RX7CYP2D6CYP2C19CYP2C9MEN1
SCHEMBL31705395 0.88 SLC1A2 (0.39) P2RX7CYP2D6CYP2C19CYP2C9HTT
SCHEMBL31706632 0.86 P2RX7 (0.50) P2RX7CYP2D6CYP2C19CYP2C9HTT
SCHEMBL31705414 0.86 P2RX7 (0.52) P2RX7CYP2D6CYP2C19CYP2C9HTT
SCHEMBL31551455 0.85 P2RX7 (0.45) P2RX7CYP2D6CYP2C19CYP2C9MEN1

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-2025217020-A1 SUBSTITUTED 5-MEMBERED RING MOLECULES AND THEIR USE AS PESTICIDES CORTEVA AGRISCIENCE LLC (US) 2025-10-16 — — WO disclosed
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