SCHEMBL7094329

SCHEMBL7094329

CCCOc1ccc(S(=O)(=O)NCC2CCN(C)C2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.72
KDM4E B2RXH2 1/20 0.65
PDE3B Q13370 2/20 0.65
PDE3A Q14432 2/20 0.65
PDE2A O00408 1/20 0.64
ABCC4 O15439 1/20 0.64
ABCC5 O15440 1/20 0.64
PDE6D O43924 1/20 0.64
PDE8A O60658 1/20 0.64
PDE9A O76083 1/20 0.64
ABCB11 O95342 1/20 0.64
CYP3A4 P08684 1/20 0.64
HTR1A P08908 1/20 0.64
PDE6A P16499 1/20 0.64
PDE6G P18545 1/20 0.64
PDE4A P27815 1/20 0.64
ADORA2A P29274 1/20 0.64
ADORA1 P30542 1/20 0.64
ADRA1A P35348 1/20 0.64
PDE6B P35913 1/20 0.64

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
SCHEMBL6280616 0.88 PDE5A (0.67) PDE5AKDM4EPDE3BPDE3APDE2A
SCHEMBL7092377 0.86 PDE5A (0.60) PDE5AKDM4EPDE3BPDE3APDE2A
Udenafil SCHEMBL30452348 0.84 PDE5A (1.00) PDE5AKDM4EPDE2APDE9APDE4A
Udenafil SCHEMBL120993 0.84 PDE5A (1.00) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL8233412 0.84 PDE5A (0.78) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL28417921 0.83 PDE5A (0.89) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL7000981 0.83 KDM4E (0.71) PDE5AKDM4EPDE2AABCC5PDE9A
Udenafil SCHEMBL8066470 0.83 PDE5A (0.83) PDE5AKDM4EPDE3BPDE3APDE2A
Udenafil SCHEMBL8065455 0.83 PDE5A (0.87) PDE5AKDM4EPDE2APDE9APDE4A
Udenafil SCHEMBL8066483 0.83 PDE5A (0.83) PDE5AKDM4EPDE3BPDE3APDE2A

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-1129093-B1 PYRAZOLOPYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF IMPOTENCE DONG A PHARM CO LTD (KR) 2003-07-23 EP disclosed