SCHEMBL6777089

SCHEMBL6777089

O=c1c2c([nH]c3ccccc13)[C@H](C1Cc3ccccc3O1)N(c1ncc(-c3ccccn3)cn1)C2

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.57
PDE6C P51160 6/20 0.57
PDE11A Q9HCR9 2/20 0.57

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
SCHEMBL6777087 1.00 PDE5A (0.57) PDE5APDE6CPDE11A
SCHEMBL6775612 1.00 PDE5A (0.57) PDE5APDE6CPDE11A
SCHEMBL6407151 0.87 PDE5A (0.50) PDE5APDE6CPDE11A
SCHEMBL6773422 0.85 PDE5A (0.61) PDE5A
SCHEMBL6412616 0.83 PDE5A (0.53) PDE5APDE6CPDE11A
SCHEMBL6405903 0.83 PDE5A (0.53) PDE5APDE6CPDE11A
SCHEMBL6412618 0.80 PDE5A (0.53) PDE5APDE6CPDE11A
SCHEMBL6405906 0.80 PDE5A (0.53) PDE5APDE6CPDE11A
SCHEMBL6407728 0.74 PDE5A (0.83) PDE5A
SCHEMBL1891581 0.74 PDE5A (0.83) PDE5A

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-6818646-B2 1,2,3,4-TETRAHYDRO-2-(5-(2-PYRIDINYL)-PYRIMIDIN-2-YL)-3-(2,3 -DIHYDROBENZOFURANYL)-9H-PYRROLO-(3,4-B)QUINOLIN-9-ONE; MALE ERECTILE DYSFUNCTION; SEXUAL DISORDERS SUI ZHIHUA (US) 2004-11-16 US disclosed