SCHEMBL31706123

SCHEMBL31706123

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ P2RX7 Q99572 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CYP2D6 P10635 4/20 0.51
▸ CYP2C19 P33261 4/20 0.51
▸ CYP2C9 P11712 3/20 0.51
▸ CYP3A4 P08684 3/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ GFER P55789 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL29875236 0.90 P2RX7 (0.53) HTTMAPTGAAMEN1KMT2A
SCHEMBL31707067 0.88 P2RX7 (0.54) HTTMAPTGAAMEN1KMT2A
SCHEMBL27246031 0.88 P2RX7 (0.54) HTTMAPTGAAMEN1KMT2A
SCHEMBL29874953 0.88 P2RX7 (0.54) HTTMAPTGAAMEN1KMT2A
SCHEMBL24769849 0.88 P2RX7 (0.54) HTTMAPTGAAMEN1KMT2A
SCHEMBL24810886 0.88 P2RX7 (0.54) HTTMAPTGAAMEN1KMT2A
SCHEMBL29875113 0.88 P2RX7 (0.54) HTTMAPTGAAMEN1KMT2A
SCHEMBL30157397 0.85 CYP2D6 (0.51) HTTMAPTGAAMEN1KMT2A
SCHEMBL31706616 0.85 CYP2D6 (0.58) HTTMAPTGAAMEN1KMT2A
SCHEMBL31706028 0.85 ITGB1 (0.47) P2RX7CYP2C19CYP3A4TSHR

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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