SCHEMBL17656733

SCHEMBL17656733

Bc1ccc(N2CC(OC)C2)nc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.46
ACACB O00763 6/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
HRH3 Q9Y5N1 6/20 0.38
ADRA1A P35348 1/20 0.36
MAP4K4 O95819 1/20 0.35
MAP3K12 Q12852 1/20 0.34
EGLN2 Q96KS0 1/20 0.33

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
SCHEMBL13155045 0.81 PDE10A (0.47) PDE10ACCNCCDK8HRH3ADRA1A
SCHEMBL13187459 0.80 PDE10A (0.46) PDE10AACACBCCNCCDK8HRH3
SCHEMBL22153203 0.80 PDE10A (0.46) PDE10ACCNCCDK8
SCHEMBL14992972 0.80 ACACB (0.50) PDE10AACACBCCNCCDK8HRH3
SCHEMBL2791709 0.80 PDE10A (0.46) PDE10AACACBCCNCCDK8HRH3
SCHEMBL26151683 0.78 PDE10A (0.44) PDE10AACACBCCNCCDK8HRH3
SCHEMBL13155029 0.78 ACACB (0.56) PDE10AACACBCCNCCDK8HRH3
SCHEMBL17619889 0.77 GRM1 (0.41) PDE10AMAP3K12
SCHEMBL19604785 0.77 AOC3 (0.39) ACACBMAP3K12
SCHEMBL24312834 0.77 KDM4E (0.43) ACACBHRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 EP disclosed
EP-2695881-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-27 EP disclosed
EP-3002278-A1 GUANIDINE COMPOUND Astellas Pharma Inc. (JP) 2016-04-06 EP disclosed