SCHEMBL25922209

SCHEMBL25922209

CCOC(=O)Cc1ccc2nc(NC(O)CC(C)(C)C)n(C3CCC3)c2c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ OPRK1 P41145 3/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ OGFRL1 Q5TC84 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ SMN1; SMN2 Q16637 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
▸ OPRD1 P41143 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ IDH1 O75874 3/20 0.31
▸ ACACB O00763 2/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL17582767 0.84 MAPT (0.38) MAPTMAPK1OPRK1OPRM1OGFRL1
SCHEMBL30659144 0.84 MAPT (0.38) MAPTMAPK1OPRK1OPRM1OGFRL1
SCHEMBL21580986 0.83 POLB (0.38) MAPTNPSR1MEN1KMT2ATP53
SCHEMBL25922214 0.81 OPRM1 (0.35) MAPTMAPK1OPRK1OPRM1OGFRL1
SCHEMBL17582904 0.79 NPSR1 (0.39) MAPTMAPK1OPRK1OPRM1OGFRL1
SCHEMBL23559787 0.79 OPRM1 (0.34) MAPTMAPK1OPRK1OPRM1OGFRL1
SCHEMBL30543717 0.79 OPRM1 (0.34) MAPTMAPK1OPRK1OPRM1OGFRL1
SCHEMBL17586630 0.79 OPRM1 (0.34) MAPTMAPK1OPRK1OPRM1OGFRL1
SCHEMBL25919584 0.78 MAPT (0.35) MAPTMAPK1OPRK1OPRM1OGFRL1
SCHEMBL21580950 0.76 IDH1 (0.46) MAPTMAPK1OPRK1OPRM1OGFRL1

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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