SCHEMBL6630145

SCHEMBL6630145

CCc1nn(CN2CCC[C@@H]2C)c2c(=O)[nH]c(-c3cc(S(C)(=O)=O)ccc3OCC(C)C)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.43
PDE1A P54750 2/20 0.42
PDE1B Q01064 2/20 0.42
PDE1C Q14123 2/20 0.42
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
PDE2A O00408 1/20 0.42
ABCC4 O15439 1/20 0.42
ABCC5 O15440 1/20 0.42
PDE6D O43924 1/20 0.42
PDE8A O60658 1/20 0.42
PDE9A O76083 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
PDE6A P16499 1/20 0.42
PDE6G P18545 1/20 0.42
PDE4A P27815 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL6629280 0.86 PDE5A (0.52) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL6630131 0.79 PDE5A (0.50) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL6630455 0.79 KMT2A (0.45) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL6629094 0.79 KMT2A (0.45) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL6811479 0.78 PDE5A (0.53) PDE5APDE6CPDE11A
SCHEMBL6630690 0.78 KMT2A (0.43) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL6629425 0.77 PDE5A (0.62) PDE5APDE3BPDE3APDE6CPDE11A
SCHEMBL6631741 0.75 PDE5A (0.49) PDE5APDE1APDE1BPDE1C
SCHEMBL6630863 0.75 PDE5A (0.60) PDE5APDE3BPDE3APDE6CPDE11A
SCHEMBL6630217 0.74 POLB (0.51) PDE5APDE6CPDE11AKMT2AKDM4E

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-1368352-B1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS PFIZER LTD (GB) 2004-12-01 EP claimed