SCHEMBL31706402

SCHEMBL31706402

O=C(C[C@@H]1CCC(=O)N1Cc1cccc(F)c1)N[C@@H](CC1CC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 3/20 0.43
▸ ITGA4 P13612 3/20 0.43
▸ P2RX7 Q99572 1/20 0.42
▸ CTSL P07711 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ FOLH1 Q04609 1/20 0.38

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
SCHEMBL31706315 0.90 ITGB1 (0.40) ITGB1ITGA4P2RX7SIGMAR1
SCHEMBL31706398 0.90 ITGB1 (0.52) ITGB1ITGA4P2RX7
SCHEMBL31705164 0.89 P2RX7 (0.46) ITGB1ITGA4P2RX7CTSLSIGMAR1
SCHEMBL31706731 0.86 GRN (0.45) ITGB1ITGA4P2RX7
SCHEMBL31706737 0.85 GRN (0.39) ITGB1ITGA4P2RX7CTSLSIGMAR1
SCHEMBL31706325 0.85 ALDH1A1 (0.43) ITGB1ITGA4P2RX7CTSLSIGMAR1
SCHEMBL30862584 0.84 P2RX7 (0.47) ITGB1ITGA4P2RX7KMT2A
SCHEMBL31706978 0.83 ITGB1 (0.42) ITGB1ITGA4P2RX7SIGMAR1KMT2A
SCHEMBL31705155 0.83 P2RX7 (0.43) ITGB1ITGA4P2RX7KMT2A
SCHEMBL31706282 0.83 P2RX7 (0.49) ITGB1ITGA4P2RX7KMT2A

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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