SCHEMBL31208501

SCHEMBL31208501

COC(=O)c1cnc(Br)cc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 18/20 0.42
▸ PDK2 Q15119 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.38

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
SCHEMBL31387935 0.88 OPRK1 (0.42) OPRK1PDK2PDK4
SCHEMBL30703822 0.81 ASPH (0.45) OPRK1PDK2PDK4SLC6A3
SCHEMBL20475970 0.77 TSHR (0.42) OPRK1PDK2PDK4
SCHEMBL25237844 0.77 OPRK1 (0.41) OPRK1
SCHEMBL31208509 0.77 OPRK1 (0.41) OPRK1
SCHEMBL29162628 0.76 CA12 (0.49) OPRK1PDK2PDK4
SCHEMBL15567556 0.75 NR4A2 (0.47) OPRK1PDK2PDK4SLC6A3
SCHEMBL29695156 0.74 OPRK1 (0.43) OPRK1PDK2PDK4
SCHEMBL9938925 0.74 TSHR (0.40) OPRK1PDK2PDK4
SCHEMBL31637984 0.74 GAA (0.41) OPRK1

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
CN-118742542-A Inhibitors of MET kinase 金耐特生物制药公司 2024-10-01 — — CN disclosed
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