SCHEMBL8510243

SCHEMBL8510243

[c]1ccc(CCOC2CCCOC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.32
SCN5A Q14524 1/20 0.32
ACACB O00763 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL7142115 0.85 MEN1 (0.41) PRMT5WDR77PDE4APDE4BPDE4C
SCHEMBL7295826 0.82 NPC1 (0.32)
SCHEMBL4620956 0.82 NPC1 (0.36) KCNA5SCN5A
SCHEMBL8510312 0.82 KCNA5 (0.34) KCNA5SCN5AACACB
SCHEMBL7302580 0.81 NPC1 (0.39) KCNA5SCN5A
SCHEMBL7306025 0.79 HSD17B3 (0.31)
SCHEMBL7304360 0.74 FFAR4 (0.33)
SCHEMBL7295050 0.74 FFAR4 (0.33)
SCHEMBL7304224 0.73 OPRM1 (0.42) SCN5A
SCHEMBL7306774 0.73 OPRM1 (0.39) SCN5A

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-0966464-A1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1999-12-29 EP disclosed
WO-1998039328-A1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES F.HOFFMANN-LA ROCHE AG (CH) 1998-09-11 WO disclosed