SCHEMBL6776102

SCHEMBL6776102

CCCc1c(NC(=O)c2cc(I)cnc2OCC(C)C)c(C(N)=O)nn1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.39
TERT O14746 4/20 0.38
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
RIPK1 Q13546 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
SCN9A Q15858 2/20 0.31
SCN5A Q14524 1/20 0.31
MAPK14 Q16539 1/20 0.31
SMPD1 P17405 1/20 0.31
PRKD3 O94806 1/20 0.31
MAPK8 P45983 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
SCHEMBL6777230 0.91 PDE5A (0.33) PDE5ATERTUSP2TSHRPRKD3
SCHEMBL6777123 0.81 PDE5A (0.47) PDE5ATERTTSHRPRKD3MAPK8
SCHEMBL6776964 0.77 PDE5A (0.44) PDE5ATERTMAPK8
SCHEMBL6746112 0.74 PDE5A (0.42) PDE5ATERTIRAK4
SCHEMBL6895181 0.73 TERT (0.60) PDE5ATERT
SCHEMBL6446169 0.73 PDE5A (0.67) PDE5ATSHR
SCHEMBL6442714 0.72 PDE5A (0.52) PDE5ATERTTSHRIRAK4
SCHEMBL6444664 0.72 PDE5A (0.74) PDE5A
SCHEMBL2402678 0.70 PDE5A (0.53) PDE5A
SCHEMBL6450443 0.69 PDE5A (0.49) PDE5ATERTMAPK8

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-6756373-B1 SUCH AS 5-(2-BUTOXY-5-IODO-3-PYRIDINYL)-3-ETHYL-2-(2-METHOXY-ETHYL)-2,6-DIHYDRO-7H -PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; ERECTILE DYSFUNCTION PFIZER INC. 2004-06-29 US disclosed