SCHEMBL31706962

SCHEMBL31706962

CO[C@H](C)[C@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1ccccc1Cl)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP3A4 P08684 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ GAA P10253 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ P2RX7 Q99572 2/20 0.46
▸ LMNA P02545 1/20 0.46

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
SCHEMBL31706965 0.93 CYP2D6 (0.50) CYP2D6CYP2C19CYP2C9CYP3A4GFER
SCHEMBL31706834 0.91 P2RX7 (0.49) CYP2D6CYP2C19CYP2C9CYP3A4GFER
SCHEMBL31706553 0.91 CYP2D6 (0.48) CYP2D6CYP2C19CYP2C9CYP3A4GFER
SCHEMBL31706533 0.89 ITGB1 (0.45) CYP2D6CYP2C19CYP2C9GAAKMT2A
SCHEMBL31706981 0.89 P2RX7 (0.43) CYP2D6CYP2C19CYP2C9CYP3A4GFER
SCHEMBL31706976 0.89 SLC1A2 (0.39) CYP2D6CYP2C19CYP2C9CYP3A4GFER
SCHEMBL31705160 0.88 P2RX7 (0.40) CYP2D6CYP2C19CYP2C9CYP3A4GFER
SCHEMBL31705811 0.88 P2RX7 (0.43) CYP2D6CYP2C19CYP2C9CYP3A4GFER
SCHEMBL31706972 0.87 ALDH1A1 (0.53) CYP2D6CYP2C19CYP2C9CYP3A4GFER
SCHEMBL30862575 0.85 P2RX7 (0.47) CYP2D6CYP2C19CYP2C9CYP3A4GFER

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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