SCHEMBL5543674

SCHEMBL5543674

CC(C)(C)OC(=O)N1CCCCC1CNc1nc(C(C)(C)C)cn2c(=O)[nH]nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
KDM1A O60341 1/20 0.41
PDE7B Q9NP56 1/20 0.40
METTL3 Q86U44 1/20 0.39
PDE8B O95263 1/20 0.39
TRPV1 Q8NER1 1/20 0.37
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
OPRD1 P41143 1/20 0.35
CHEK2 O96017 1/20 0.35
ATM Q13315 2/20 0.35
PARP1 P09874 1/20 0.35
APP P05067 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A2 P23975 1/20 0.35
HRH2 P25021 1/20 0.35

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
SCHEMBL5548632 0.73 KDM1A (0.40) KDM1AHRH2
SCHEMBL5550007 0.72 KAT2B (0.39)
SCHEMBL15055509 0.71 STK17B (0.50) PRMT5KDM1APDE7BPDE8BTRPV1
SCHEMBL16336181 0.71 STK17B (0.50) PRMT5KDM1APDE7BPDE8BTRPV1
SCHEMBL16336972 0.71 STK17B (0.50) PRMT5KDM1APDE7BPDE8BTRPV1
SCHEMBL15056902 0.68 STK17B (0.51) PRMT5KDM1APDE7BTRPV1FPR3
SCHEMBL16336962 0.68 STK17B (0.51) PRMT5KDM1APDE7BTRPV1FPR3
SCHEMBL16337923 0.68 STK17B (0.51) PRMT5KDM1APDE7BTRPV1FPR3
SCHEMBL5337684 0.68 PRMT5 (0.53) PRMT5KDM1APDE7BMETTL3PDE8B
SCHEMBL19141219 0.68 PRMT5 (0.53) PRMT5KDM1APDE7BMETTL3PDE8B

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-1678180-B1 SUBSTITUTED 2H-[1,2,4]TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2007-08-08 EP disclosed