SCHEMBL30862578

SCHEMBL30862578

COC(=O)C[C@@H]1CCC(=O)N1Cc1cc(F)cc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.38
▸ P2RX7 Q99572 10/20 0.38
▸ HCRTR2 O43614 1/20 0.35
▸ PREP P48147 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MDM2 Q00987 1/20 0.33

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
SCHEMBL30157715 0.86 ALDH1A1 (0.44) P2RX7
SCHEMBL24809891 0.86 RIPK1 (0.40) RIPK1P2RX7PREPCYP2D6CYP2C9
SCHEMBL31551184 0.86 RIPK1 (0.40) RIPK1P2RX7PREPCYP2D6CYP2C9
SCHEMBL30158069 0.84 P2RX7 (0.54) P2RX7HCRTR2CYP2D6CYP2C9CYP2C19
SCHEMBL30862582 0.84 P2RX7 (0.54) P2RX7HCRTR2CYP2D6CYP2C9CYP2C19
SCHEMBL31551463 0.82 P2RX7 (0.34) RIPK1P2RX7CYP2D6CYP2C9CYP2C19
SCHEMBL30862580 0.82 RIPK1 (0.36) RIPK1P2RX7PREPCYP2D6CYP2C9
SCHEMBL31551350 0.82 RIPK1 (0.33) RIPK1P2RX7
SCHEMBL31551483 0.82 CTSL (0.34) P2RX7
SCHEMBL31705310 0.81 RAB9A (0.45) P2RX7HCRTR2NPC1RAB9ACYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4601471-A1 SUBSTITUTED 5-MEMBERED RINGS AND THEIR USE AS PESTICIDES Corteva Agriscience LLC (US) 2025-08-20 — — EP disclosed
WO-2024081762-A1 SUBSTITUTED 5-MEMBERED RINGS AND THEIR USE AS PESTICIDES CORTEVA AGRISCIENCE LLC (US) 2024-04-18 — — WO disclosed
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