SCHEMBL3383035

SCHEMBL3383035

CCCn1cc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)ccc3OCC)nc21

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.67
PDE1A P54750 2/20 0.56
PDE1B Q01064 2/20 0.56
PDE1C Q14123 2/20 0.56
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL3012186 0.88 PDE5A (0.60) PDE5APDE1APDE1BPDE1CHDAC1
Tunodafil SCHEMBL3018511 0.87 PDE5A (0.65) PDE5APDE1APDE1BPDE1CADORA3
Tunodafil SCHEMBL3023706 0.86 PDE5A (0.65) PDE5APDE1APDE1BPDE1CADORA3
Tunodafil SCHEMBL3011726 0.86 PDE5A (0.65) PDE5APDE1APDE1BPDE1CADORA3
SCHEMBL3012495 0.85 PDE5A (0.74) PDE5APDE1APDE1BPDE1CADORA2A
SCHEMBL3026814 0.85 PDE5A (0.63) PDE5APDE1APDE1BPDE1C
SCHEMBL3031282 0.84 PDE5A (0.66) PDE5APDE1APDE1BPDE1CADORA2A
SCHEMBL3023423 0.84 PDE5A (0.63) PDE5APDE1APDE1BPDE1C
SCHEMBL3023508 0.83 PDE5A (0.64) PDE5APDE1APDE1BPDE1C
SCHEMBL3022651 0.82 PDE5A (0.63) PDE5APDE1APDE1BPDE1CLMNA

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-1634883-B1 2-SUBSTITUTED PHENYL-5,7-DIALKYL-3,7-DIHYDROPYRROLE[2,3-D] PYRIMIDINE-4-ONE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL G (CN) 2010-12-15 EP claimed