SCHEMBL7785468

SCHEMBL7785468

CCCc1ccnc2cnc(-c3cc(S(=O)(=O)N4CCC(C(=O)O)CC4)ccc3OCC)nc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.48
CA12 O43570 7/20 0.47
CA9 Q16790 7/20 0.47
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.45
APEX1 P27695 1/20 0.44
NPC1 O15118 2/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL3842010 0.81 PDE5A (0.63) PDE5AHDAC1HDAC2HDAC6
SCHEMBL5596744 0.74 PDE5A (0.62) PDE5AGAAHDAC1HDAC2HDAC6
SCHEMBL6642932 0.74 PDE5A (0.81) PDE5AHDAC1HDAC2HDAC6
SCHEMBL24051300 0.71 PDE5A (0.89) PDE5AHDAC1HDAC2HDAC6
SCHEMBL6643877 0.69 PDE5A (0.76) PDE5A
SCHEMBL8149898 0.68 PDE5A (0.70) PDE5A
SCHEMBL7721640 0.68 PDE5A (0.69) PDE5ACA12CA9
SCHEMBL3840503 0.67 PDE5A (0.72) PDE5AHDAC1HDAC2HDAC6
SCHEMBL6483177 0.66 PDE5A (0.83) PDE5AHDAC1HDAC2HDAC6
SCHEMBL7160531 0.66 PDE5A (0.65) PDE5ALMNAHDAC1HDAC2HDAC6

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
EP-1140044-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION Novartis AG (CH) 2001-10-10 EP disclosed
WO-2000037061-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION NOVARTIS AG (CH) 2000-06-29 WO disclosed