SCHEMBL4026799

SCHEMBL4026799

CCc1ncc(C(C)=O)n1CC1CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.37
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BRD4 O60885 1/20 0.34
CNR2 P34972 10/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
CRHR1 P34998 1/20 0.31
CRHR2 Q13324 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL4026878 0.81 NOTUM (0.42) NOTUMPDE1APDE1BPDE1CALDH1A1
SCHEMBL4026817 0.79 HTT (0.37) NOTUMPDE1APDE1BPDE1CALDH1A1
SCHEMBL4026822 0.79 HTT (0.37) NOTUMPDE1APDE1BPDE1CALDH1A1
SCHEMBL6598308 0.72 ALOX15 (0.55) ALDH1A1LMNAALOX15NPSR1
SCHEMBL1447738 0.69 PDE1C (0.39) PDE1APDE1BPDE1CALDH1A1NPSR1
SCHEMBL3551145 0.68 ALOX15 (0.43) ALDH1A1LMNAALOX15NPSR1
SCHEMBL3625293 0.68 ALOX15 (0.38) ALDH1A1LMNAALOX15NPSR1
SCHEMBL6106298 0.65 MAPK1 (0.40) ALDH1A1LMNA
SCHEMBL2281613 0.64 MAPK1 (0.33) ALDH1A1LMNAALOX15NPSR1
SCHEMBL4021051 0.64 ALOX15 (0.44) ALDH1A1LMNAALOX15NPSR1

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-1485375-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-06-17 EP disclosed