SCHEMBL31064951

SCHEMBL31064951

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(C(O)(CCO[N+](=O)[O-])CCO[N+](=O)[O-])CC4)ccc3OCC)nc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.71
PDE3B Q13370 4/20 0.69
PDE3A Q14432 4/20 0.69
ABCC4 O15439 2/20 0.69
PDE2A O00408 1/20 0.69
ABCC5 O15440 1/20 0.69
PDE6D O43924 1/20 0.69
PDE8A O60658 1/20 0.69
PDE9A O76083 1/20 0.69
ABCB11 O95342 1/20 0.69
CYP3A4 P08684 1/20 0.69
HTR1A P08908 1/20 0.69
PDE6A P16499 1/20 0.69
PDE6G P18545 1/20 0.69
PDE4A P27815 1/20 0.69
ADORA2A P29274 1/20 0.69
ADORA1 P30542 1/20 0.69
ADRA1A P35348 1/20 0.69
PDE6B P35913 1/20 0.69
PDE6C P51160 1/20 0.69

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
SCHEMBL21995695 1.00 PDE5A (0.71) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL21995243 0.98 PDE5A (0.68) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL31064808 0.98 PDE5A (0.68) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL24239289 0.93 PDE5A (0.60) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL22041043 0.91 PDE5A (0.76) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL22041432 0.91 PDE5A (0.75) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL22043079 0.90 PDE5A (0.74) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL21995286 0.88 PDE5A (0.72) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL29440268 0.88 PDE5A (0.72) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL24239380 0.88 PDE5A (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166157-B Double-acting mode soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof 托帕杜制药公司 2024-08-27 CN claimed
CN-113166157-B Double-acting mode soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof 托帕杜制药公司 2024-08-27 CN disclosed