SCHEMBL31705744

SCHEMBL31705744

COC(=O)[C@H](CC1CC1)NC(=O)C[C@@H]1CCC(=O)N1Cc1cc(F)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 13/20 0.41
▸ HTT P42858 3/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL31706835 0.91 P2RX7 (0.44) P2RX7HTTCYP2D6CYP2C9CYP2C19
SCHEMBL31705155 0.90 P2RX7 (0.43) P2RX7HTTCYP2D6CYP2C9CYP2C19
SCHEMBL31706618 0.88 CYP2D6 (0.50) P2RX7HTTCYP2D6CYP2C9CYP2C19
SCHEMBL31705423 0.87 P2RX7 (0.44) P2RX7HTTCYP2D6CYP2C9CYP2C19
SCHEMBL30862576 0.86 P2RX7 (0.34) P2RX7
SCHEMBL31706989 0.85 P2RX7 (0.39) P2RX7HTTCYP2D6CYP2C9CYP2C19
SCHEMBL31705417 0.83 CTSL (0.36) P2RX7CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL30862574 0.83 P2RX7 (0.47) P2RX7HTTCYP2D6CYP2C9CYP2C19
SCHEMBL30862577 0.83 P2RX7 (0.47) P2RX7HTTCYP2D6CYP2C9CYP2C19
SCHEMBL31551639 0.83 P2RX7 (0.32) P2RX7

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
Send feedback