SCHEMBL31551454

SCHEMBL31551454

CC(C)[C@@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cc(F)cc(F)c1F)C(=O)NN(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 7/20 0.39
▸ P2RX7 Q99572 9/20 0.34
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PREP P48147 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
SCHEMBL31551176 0.88 RIPK1 (0.37) RIPK1P2RX7CYP2D6CYP2C19ALDH1A1
SCHEMBL30862580 0.86 RIPK1 (0.36) RIPK1P2RX7CYP2D6CYP2C19ALDH1A1
SCHEMBL31551463 0.86 P2RX7 (0.34) RIPK1P2RX7CYP2D6CYP2C19ALDH1A1
SCHEMBL31551201 0.86 RIPK1 (0.36) RIPK1P2RX7
SCHEMBL31551474 0.85 RIPK1 (0.35) RIPK1P2RX7CYP2D6CYP2C19ALDH1A1
SCHEMBL31551506 0.84 RIPK1 (0.35) RIPK1
SCHEMBL31551473 0.83 RIPK1 (0.36) RIPK1P2RX7CYP2D6CYP2C19ALDH1A1
SCHEMBL31551351 0.83 P2RX7 (0.34) RIPK1P2RX7CYP2D6CYP2C19ALDH1A1
SCHEMBL31551309 0.83 RIPK1 (0.34) RIPK1P2RX7CYP2D6CYP2C19ALDH1A1
SCHEMBL31551536 0.82 RIPK1 (0.33) RIPK1P2RX7CYP2D6CYP2C19ALDH1A1

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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