SCHEMBL3236235

SCHEMBL3236235

COc1ccc(-c2cnc(=O)n(Cc3nc4ccccc4[nH]3)c2)cc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.48
PDE4B Q07343 11/20 0.48
PDE4C Q08493 11/20 0.48
PDE4D Q08499 11/20 0.48
DRD4 P21917 2/20 0.43
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CXCR6 O00574 1/20 0.41
DRD2 P14416 1/20 0.40

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
SCHEMBL3232600 0.89 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL3231848 0.85 PDE4B (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL3234862 0.82 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL3240498 0.82 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL3236257 0.81 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL3235972 0.80 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL3260690 0.80 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL3236840 0.80 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL3239951 0.79 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL2371367 0.79 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D

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
WO-2010029299-A1 PYRIMIDINONE DERIVATIES FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2010-03-18 WO disclosed