SCHEMBL5824016

SCHEMBL5824016

Cc1cc2n[nH]c(=O)n2c2cc(-c3ccccc3CN3CCC(CCO)CC3)c(O)cc12

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.52
OPRM1 P35372 1/20 0.38
OPRK1 P41145 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
SCHEMBL5470737 0.94 CHEK1 (0.55) CHEK1
SCHEMBL5824018 0.88 CHEK1 (0.52) CHEK1
SCHEMBL5470906 0.86 CHEK1 (0.58) CHEK1
SCHEMBL5477816 0.84 CHEK1 (0.51) CHEK1
SCHEMBL5470383 0.82 CHEK1 (0.74) CHEK1
SCHEMBL5478959 0.81 CHEK1 (0.46) CHEK1
SCHEMBL5480599 0.79 CHEK1 (0.55) CHEK1
SCHEMBL5472703 0.78 CHEK1 (0.47) CHEK1
SCHEMBL5480669 0.77 CHEK1 (0.62) CHEK1
SCHEMBL5478058 0.75 CHEK1 (0.63) CHEK1

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-1613625-A1 NOVEL FUSED TRIAZOLONES AND THE USES THEREOF AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004081008-A1 NOVEL FUSED TRIAZOLONES AND THE USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO disclosed