SCHEMBL25919584

SCHEMBL25919584

CCOC(=O)Cc1ccc2nc(NC(=O)C[C@H]3CC3(C)C)n(C3CCC3)c2c1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ IDH1 O75874 13/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ OGFRL1 Q5TC84 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CCND1 P24385 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK6 Q00534 1/20 0.33
▸ MET P08581 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ EGFR P00533 1/20 0.31
▸ RORC P51449 1/20 0.31

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
SCHEMBL30543717 0.89 OPRM1 (0.34) MAPTMAPK1IDH1OPRM1OPRK1
SCHEMBL23559787 0.89 OPRM1 (0.34) MAPTMAPK1IDH1OPRM1OPRK1
SCHEMBL17586630 0.89 OPRM1 (0.34) MAPTMAPK1IDH1OPRM1OPRK1
SCHEMBL17582767 0.86 MAPT (0.38) MAPTMAPK1OPRM1OPRK1OGFRL1
SCHEMBL30659144 0.86 MAPT (0.38) MAPTMAPK1OPRM1OPRK1OGFRL1
SCHEMBL20110774 0.83 ALK (0.35) IDH1ALKEGFR
SCHEMBL25922214 0.83 OPRM1 (0.35) MAPTMAPK1OPRM1OPRK1OGFRL1
SCHEMBL17582904 0.79 NPSR1 (0.39) MAPTMAPK1OPRM1OPRK1OGFRL1
SCHEMBL25922209 0.78 MAPT (0.35) MAPTMAPK1IDH1OPRM1OPRK1
SCHEMBL17583055 0.77 IDH1 (0.37) IDH1OPRM1OPRK1OGFRL1ALK

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
EP-3572405-B1 BENZOIMIDAZOL-1,2-YL AMIDES AS KV7 CHANNEL ACTIVATORS KNOPP BIOSCIENCES LLC (US) 2023-07-26 — — EP disclosed
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