SCHEMBL31706976

SCHEMBL31706976

CO[C@H](C)[C@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1ccccc1F)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A2 P43004 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ P2RX7 Q99572 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CYP2D6 P10635 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ CAPN1 P07384 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL30862575 0.93 P2RX7 (0.47) P2RX7CYP2D6CYP2C19CYP2C9PKM
SCHEMBL31705395 0.93 SLC1A2 (0.39) SLC1A2RAB9AP2RX7NPC1CYP2D6
SCHEMBL31705160 0.91 P2RX7 (0.40) P2RX7CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL31705293 0.91 SLC1A2 (0.44) SLC1A2RAB9AP2RX7NPC1CYP2D6
SCHEMBL31551583 0.90 P2RX7 (0.44) P2RX7CYP2D6CYP2C19CYP2C9PKM
SCHEMBL31706979 0.89 P2RX7 (0.38) RAB9AP2RX7CYP2D6CYP2C19CYP2C9
SCHEMBL31706962 0.89 CYP2D6 (0.50) P2RX7CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL31705793 0.88 P2RX7 (0.39) P2RX7KMT2AITGB1ITGA4ALDH1A1
SCHEMBL31706834 0.88 P2RX7 (0.49) P2RX7CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL31706533 0.88 ITGB1 (0.45) P2RX7CYP2D6CYP2C19CYP2C9PKM

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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