SCHEMBL7338751

SCHEMBL7338751

CCn1ncc2c(N[C@@H](C)C3CCCCC3)c3cc([S+](C)[O-])ccc3nc21

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.70
PDE4B Q07343 3/20 0.35
PDE4D Q08499 7/20 0.35
MAT2A P31153 6/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE7A Q13946 1/20 0.34
BCDIN3D Q7Z5W3 1/20 0.34
GRK6 P43250 1/20 0.34

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
SCHEMBL7329703 0.85 PDE5A (0.75) PDE5APDE4BPDE4DMAT2AKDM4E
SCHEMBL7334674 0.84 PDE5A (0.70) PDE5APDE4BPDE4DMAT2AKDM4E
SCHEMBL7331699 0.83 PDE5A (0.51) PDE5APDE4BPDE4DMAT2APDE7A
SCHEMBL7335465 0.83 PDE5A (0.69) PDE5APDE4BPDE4DKDM4EALDH1A1
SCHEMBL7338132 0.83 PDE5A (0.71) PDE5APDE4BPDE4DBCDIN3DGRK6
SCHEMBL7328490 0.83 PDE5A (0.71) PDE5APDE4BPDE4DMAT2AKDM4E
SCHEMBL7331743 0.83 PDE5A (1.00) PDE5APDE4BPDE4DMAT2AKDM4E
Hydrochloric Acid SCHEMBL7331928 0.82 PDE5A (0.98) PDE5APDE4BPDE4DMAT2AKDM4E
Hydrochloric Acid SCHEMBL7336182 0.80 PDE5A (0.65) PDE5APDE4BPDE4DMAT2AKDM4E
SCHEMBL7331429 0.80 PDE5A (0.67) PDE5APDE4BPDE4DMAT2AKDM4E

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-5488055-A ADMINISTERING GMP HOSPHODIESTERASE INHIBITORS FOR TREATMENT OF CONGESTIVE HEART FAILURE AND CARDIOVASCULAR DISORDERS SANOFI WINTHROP INC. (US) 1996-01-30 US disclosed