Sildenafil

Sildenafil

SCHEMBL19410964

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.O=C(O)CCCCCCCCC(=O)O

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PDE5A

The experimentally established mechanism targets of Sildenafil. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A known ✓ O76074 20/20 0.86
PDE3B Q13370 3/20 0.86
PDE3A Q14432 3/20 0.86
ABCC4 O15439 2/20 0.86
PDE2A O00408 1/20 0.86
ABCC5 O15440 1/20 0.86
PDE6D O43924 1/20 0.86
PDE8A O60658 1/20 0.86
PDE9A O76083 1/20 0.86
ABCB11 O95342 1/20 0.86
CYP3A4 P08684 1/20 0.86
HTR1A P08908 1/20 0.86
PDE6A P16499 1/20 0.86
PDE6G P18545 1/20 0.86
PDE4A P27815 1/20 0.86
ADORA2A P29274 1/20 0.86
ADORA1 P30542 1/20 0.86
ADRA1A P35348 1/20 0.86
PDE6B P35913 1/20 0.86
PDE6C P51160 1/20 0.86

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
Sildenafil SCHEMBL19410945 1.00 PDE5A (0.86) PDE5APDE3BPDE3AABCC4PDE2A
Sildenafil SCHEMBL19410953 1.00 PDE5A (0.86) PDE5APDE3BPDE3AABCC4PDE2A
Sildenafil SCHEMBL19410955 0.99 PDE5A (0.87) PDE5APDE3BPDE3AABCC4PDE2A
Sildenafil SCHEMBL19410928 0.99 PDE5A (0.84) PDE5APDE3BPDE3AABCC4PDE2A
Sildenafil SCHEMBL19410961 0.99 PDE5A (0.84) PDE5APDE3BPDE3AABCC4PDE2A
Sildenafil SCHEMBL19410927 0.99 PDE5A (0.84) PDE5APDE3BPDE3AABCC4PDE2A
Sildenafil SCHEMBL19410935 0.99 PDE5A (0.84) PDE5APDE3BPDE3AABCC4PDE2A
Sildenafil SCHEMBL19410944 0.99 PDE5A (0.84) PDE5APDE3BPDE3AABCC4PDE2A
Sildenafil SCHEMBL19410936 0.99 PDE5A (0.84) PDE5APDE3BPDE3AABCC4PDE2A
Sildenafil SCHEMBL19410926 0.99 PDE5A (0.84) PDE5APDE3BPDE3AABCC4PDE2A

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
WO-2017168174-A1 NEW PHARMACEUTICAL FORMS OF SILDENAFIL N4 PHARMA UK LIMITED (GB) 2017-10-05 WO disclosed