SCHEMBL31706830

SCHEMBL31706830

COC(=O)[C@@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cc(Cl)ccc1Cl)[C@@H](C)OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 10/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP2D6 P10635 4/20 0.39
▸ CYP2C19 P33261 4/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ XIAP P98170 1/20 0.37
▸ GFER P55789 1/20 0.36
▸ USP2 O75604 1/20 0.35

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
SCHEMBL31706981 0.93 P2RX7 (0.43) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31706535 0.93 P2RX7 (0.44) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31706531 0.92 P2RX7 (0.39) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31706965 0.89 CYP2D6 (0.50) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31705665 0.86 P2RX7 (0.45) P2RX7USP2
SCHEMBL31707062 0.85 P2RX7 (0.43) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31705793 0.85 P2RX7 (0.39) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31706835 0.85 P2RX7 (0.44) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31706840 0.85 P2RX7 (0.40) P2RX7ALDH1A1MAPTHTTLMNA
SCHEMBL31706724 0.84 P2RX7 (0.38) P2RX7ALDH1A1HTTCYP3A4XIAP

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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