SCHEMBL6330442

SCHEMBL6330442

CCCOc1ccccc1-c1nn2c(CC)nc(C)c2c(=O)[nH]1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.74
PDE1A P54750 4/20 0.74
PDE1B Q01064 4/20 0.74
PDE1C Q14123 4/20 0.74
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
PDE2A O00408 1/20 0.51
PDE6D O43924 1/20 0.51
USP2 O75604 1/20 0.51
PDE9A O76083 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
PDE6A P16499 1/20 0.51
PDE6G P18545 1/20 0.51
PDE4A P27815 1/20 0.51
PDE6B P35913 1/20 0.51

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
SCHEMBL973661 0.93 PDE5A (0.86) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL5613 0.85 PDE5A (1.00) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL30493634 0.85 PDE5A (1.00) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL5902042 0.84 PDE5A (0.61) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL5902282 0.84 PDE5A (0.86) PDE5APDE1APDE1BPDE1C
SCHEMBL6332323 0.82 PDE5A (0.86) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL5901591 0.82 PDE5A (0.85) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL6332617 0.82 PDE5A (0.85) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL5901813 0.82 PDE5A (0.85) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL972561 0.80 PDE5A (1.00) PDE5APDE1APDE1BPDE1CKDM4E

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
US-6838459-B1 7-alkyl-and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2005-01-04 US disclosed