SCHEMBL17545115

SCHEMBL17545115

CCCOc1ccc(S(=O)(=O)NCCC2CCCN2C)cc1-c1nc2c(CCC)n[nH]c2c(=O)n1C

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.68
BRD4 O60885 1/20 0.42
PDE2A O00408 1/20 0.40
PDE9A O76083 1/20 0.40
PDE4A P27815 1/20 0.40
PDE6C P51160 1/20 0.40
PDE1A P54750 1/20 0.40
PDE11A Q9HCR9 1/20 0.40
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL18073894 0.89 PDE5A (0.66) PDE5ABRD4PDE2APDE9APDE4A
SCHEMBL19547095 0.84 PDE5A (0.64) PDE5ABRD4
Udenafil SCHEMBL120993 0.81 PDE5A (1.00) PDE5APDE2APDE9APDE4APDE6C
Udenafil SCHEMBL30452348 0.81 PDE5A (1.00) PDE5APDE2APDE9APDE4APDE6C
Udenafil SCHEMBL438563 0.80 PDE5A (0.80) PDE5APDE2APDE9APDE4APDE6C
Udenafil SCHEMBL69463 0.80 PDE5A (0.80) PDE5APDE2APDE9APDE4APDE6C
Udenafil SCHEMBL8055433 0.79 PDE5A (0.94) PDE5APDE2APDE9APDE4APDE6C
Udenafil SCHEMBL8055636 0.78 PDE5A (0.94) PDE5APDE2APDE9APDE4APDE6C
Udenafil SCHEMBL8054822 0.78 PDE5A (0.94) PDE5APDE2APDE9APDE4APDE6C
SCHEMBL18416780 0.77 PDE5A (0.69) PDE5ABRD4

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-3185903-A1 PRODUCTS FOR THE TREATMENT AND PREVENTION OF NEUROLOGICAL DISORDERS COURSING WITH A COGNITION DEFICIT OR IMPAIRMENT, AND OF NEURODEGENERATIVE DISEASES Fundación para la Investigación Médica Aplicada (ES) 2017-07-05 EP claimed
WO-2016030345-A1 PRODUCTS FOR THE TREATMENT AND PREVENTION OF NEUROLOGICAL DISORDERS COURSING WITH A COGNITION DEFICIT OR IMPAIRMENT, AND OF NEURODEGENERATIVE DISEASES FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2016-03-03 WO claimed