SCHEMBL25922214

SCHEMBL25922214

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ OGFRL1 Q5TC84 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CDK6 Q00534 1/20 0.34
▸ ALK Q9UM73 4/20 0.33
▸ MET P08581 1/20 0.33
▸ ACACB O00763 6/20 0.33
▸ EGFR P00533 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ SPR P35270 1/20 0.32

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
SCHEMBL30659144 0.84 MAPT (0.38) OPRM1OPRK1OGFRL1SMN1; SMN2NPSR1
SCHEMBL17582767 0.84 MAPT (0.38) OPRM1OPRK1OGFRL1SMN1; SMN2NPSR1
SCHEMBL23559787 0.83 OPRM1 (0.34) OPRM1OPRK1OGFRL1SMN1; SMN2NPSR1
SCHEMBL30543717 0.83 OPRM1 (0.34) OPRM1OPRK1OGFRL1SMN1; SMN2NPSR1
SCHEMBL17586630 0.83 OPRM1 (0.34) OPRM1OPRK1OGFRL1SMN1; SMN2NPSR1
SCHEMBL25919584 0.83 MAPT (0.35) OPRM1OPRK1OGFRL1SMN1; SMN2NPSR1
SCHEMBL25922209 0.81 MAPT (0.35) OPRM1OPRK1OGFRL1SMN1; SMN2NPSR1
SCHEMBL17582904 0.80 NPSR1 (0.39) OPRM1OPRK1OGFRL1SMN1; SMN2NPSR1
SCHEMBL19276052 0.74 KMT2A (0.36) OPRM1OPRK1OGFRL1ALKMET
SCHEMBL19276051 0.74 KMT2A (0.36) OPRM1OPRK1OGFRL1ALKMET

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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