SCHEMBL31706834

SCHEMBL31706834

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

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
▸ CYP3A4 P08684 2/20 0.41
▸ GFER P55789 1/20 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
▸ 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
SCHEMBL31706276 0.93 P2RX7 (0.49) P2RX7CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL30862575 0.91 P2RX7 (0.47) P2RX7CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL31705414 0.91 P2RX7 (0.52) P2RX7CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL31706962 0.91 CYP2D6 (0.50) P2RX7CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL31705160 0.90 P2RX7 (0.40) P2RX7CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL31551583 0.88 P2RX7 (0.44) P2RX7CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL31705154 0.88 P2RX7 (0.50) P2RX7CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL31706976 0.88 SLC1A2 (0.39) P2RX7CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL31705811 0.86 P2RX7 (0.43) P2RX7CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL31705793 0.85 P2RX7 (0.39) P2RX7HTTGAAMAPTMEN1

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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