SCHEMBL31706724

SCHEMBL31706724

COC(=O)[C@@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cc(F)ccc1F)[C@@H](C)OC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 9/20 0.38
▸ XIAP P98170 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ECE1 P42892 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PER2 O15055 1/20 0.35
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL31706979 0.93 P2RX7 (0.38) P2RX7XIAPGPR119ALDH1A1ECE1
SCHEMBL31706531 0.92 P2RX7 (0.39) P2RX7XIAPALDH1A1HTT
SCHEMBL30862579 0.89 P2RX7 (0.33) P2RX7ALDH1A1
SCHEMBL31705395 0.89 SLC1A2 (0.39) P2RX7RAB9AHTTCYP3A4
SCHEMBL30862570 0.86 P2RX7 (0.47) P2RX7GPR119ALDH1A1
SCHEMBL31705655 0.86 CTSL (0.44) P2RX7ALDH1A1RAB9AHCRTR1HCRTR2
SCHEMBL31705304 0.85 CTSL (0.36) P2RX7ALDH1A1HCRTR2
SCHEMBL31705296 0.85 P2RX7 (0.40) P2RX7XIAPGPR119ALDH1A1RAB9A
SCHEMBL31705793 0.85 P2RX7 (0.39) P2RX7XIAPALDH1A1HTT
SCHEMBL31706840 0.85 P2RX7 (0.40) P2RX7XIAPALDH1A1HTT

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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