SCHEMBL31705423

SCHEMBL31705423

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 12/20 0.44
▸ CYP2D6 P10635 3/20 0.40
▸ CYP2C9 P11712 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL31706535 0.91 P2RX7 (0.44) P2RX7CYP2D6CYP2C9CYP2C19HTT
SCHEMBL31705730 0.91 P2RX7 (0.45) P2RX7CYP2D6CYP2C9CYP2C19HTT
SCHEMBL31705811 0.88 P2RX7 (0.43) P2RX7CYP2D6CYP2C9CYP2C19HTT
SCHEMBL31705324 0.88 P2RX7 (0.36) P2RX7CYP2D6CYP2C9CYP2C19HTT
SCHEMBL31706972 0.87 ALDH1A1 (0.53) P2RX7CYP2D6CYP2C9CYP2C19HTT
SCHEMBL31705744 0.87 P2RX7 (0.41) P2RX7CYP2D6CYP2C9CYP2C19HTT
SCHEMBL31706840 0.86 P2RX7 (0.40) P2RX7HTTMEN1GAAMAPT
SCHEMBL31705154 0.86 P2RX7 (0.50) P2RX7CYP2D6CYP2C9CYP2C19HTT
SCHEMBL30862580 0.85 RIPK1 (0.36) P2RX7CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL31706724 0.84 P2RX7 (0.38) P2RX7HTTCYP3A4ALDH1A1

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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