SCHEMBL31551348

SCHEMBL31551348

COCCNC(=O)C(NC(=O)CC1CCC(=O)N1Cc1cccc(F)c1F)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 8/20 0.46
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ POLB P06746 2/20 0.39
▸ GPR119 Q8TDV5 1/20 0.36
▸ SLC1A2 P43004 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL31551602 1.00 P2RX7 (0.46) P2RX7CYP2D6CYP2C9CYP2C19POLB
SCHEMBL31551367 0.95 P2RX7 (0.43) P2RX7CYP2D6CYP2C9CYP2C19POLB
SCHEMBL31551578 0.91 P2RX7 (0.45) P2RX7CYP2D6CYP2C9CYP2C19POLB
SCHEMBL31551643 0.91 P2RX7 (0.50) P2RX7POLBGPR119SLC1A2ALDH1A1
SCHEMBL31551398 0.89 P2RX7 (0.47) P2RX7CYP2D6CYP2C9CYP2C19POLB
SCHEMBL31551515 0.89 P2RX7 (0.47) P2RX7CYP2D6CYP2C9CYP2C19POLB
SCHEMBL31551565 0.89 P2RX7 (0.49) P2RX7CYP2D6CYP2C9CYP2C19POLB
SCHEMBL31551262 0.89 P2RX7 (0.52) P2RX7POLBGPR119SLC1A2ALDH1A1
SCHEMBL31551613 0.88 P2RX7 (0.45) P2RX7CYP2D6CYP2C9CYP2C19POLB
SCHEMBL31551394 0.88 P2RX7 (0.46) P2RX7CYP2D6CYP2C9CYP2C19POLB

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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