SCHEMBL31551416

SCHEMBL31551416

O=C(C[C@@H]1CCC(=O)N1Cc1cc(F)cc(F)c1F)N[C@@H](CC1CC1)C(=O)OCC(F)F

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 1/20 0.31
▸ P2RX7 Q99572 2/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ CTSB P07858 1/20 0.30
▸ ITGB1 P05556 1/20 0.30
▸ ITGA4 P13612 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL31551485 0.91 P2RX7 (0.32) PREPP2RX7RIPK1CTSBITGB1
SCHEMBL31551601 0.90 P2RX7 (0.35) P2RX7RIPK1CTSB
SCHEMBL30862576 0.90 P2RX7 (0.34) P2RX7RIPK1ITGB1ITGA4
SCHEMBL31551566 0.89 RIPK1 (0.32) P2RX7RIPK1CTSBHTT
SCHEMBL31551570 0.89 CAPN1 (0.33) P2RX7RIPK1CTSB
SCHEMBL31551567 0.89 P2RX7 (0.33) PREPP2RX7RIPK1ITGB1ITGA4
SCHEMBL31551549 0.88 CTSL (0.33) P2RX7
SCHEMBL31551445 0.88 RIPK1 (0.33) P2RX7RIPK1
SCHEMBL31551646 0.87 RIPK1 (0.31) RIPK1
SCHEMBL31551527 0.87 POLB (0.35) P2RX7ITGB1ITGA4CYP1A2CYP3A4

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-2025080861-A1 5-MEMBERED RING-BASED MOLECULES AND THEIR USE AS HERBICIDES CORTEVA AGRISCIENCE LLC (US) 2025-04-17 — — WO disclosed
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