SCHEMBL30862586

SCHEMBL30862586

COC(=O)[C@@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cccc(F)c1F)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 8/20 0.48
▸ GPR119 Q8TDV5 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ SLC1A2 P43004 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL30862585 1.00 P2RX7 (0.48) P2RX7GPR119TSHRMEN1KMT2A
SCHEMBL31551579 0.96 P2RX7 (0.46) P2RX7GPR119TSHRMEN1KMT2A
SCHEMBL31551594 0.96 P2RX7 (0.46) P2RX7GPR119TSHRMEN1KMT2A
SCHEMBL31551181 0.96 P2RX7 (0.46) P2RX7GPR119TSHRMEN1KMT2A
SCHEMBL31551196 0.93 P2RX7 (0.43) P2RX7GPR119TSHRMEN1KMT2A
SCHEMBL31551479 0.93 P2RX7 (0.43) P2RX7GPR119TSHRMEN1KMT2A
SCHEMBL31551306 0.93 P2RX7 (0.47) P2RX7GPR119POLBSLC1A2ALDH1A1
SCHEMBL31551313 0.93 P2RX7 (0.49) P2RX7GPR119MEN1KMT2APOLB
SCHEMBL30862570 0.93 P2RX7 (0.47) P2RX7GPR119MEN1KMT2APOLB
SCHEMBL31706020 0.93 SLC1A2 (0.43) P2RX7TSHRMEN1KMT2ACYP2D6

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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