SCHEMBL6778793

SCHEMBL6778793

COc1ccc(-c2cnc(N3Cc4c([nH]c5ccccc5c4=O)[C@@H]3C3C=C4CC=CC=C4O3)nc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.56
PDE6C P51160 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
SCHEMBL6778791 1.00 PDE5A (0.56) PDE5APDE6C
SCHEMBL6412825 0.80 PDE5A (0.56) PDE5A
SCHEMBL6635064 0.80 PDE5A (0.56) PDE5A
SCHEMBL6773422 0.78 PDE5A (0.61) PDE5A
SCHEMBL6635060 0.76 PDE5A (0.56) PDE5A
SCHEMBL6412821 0.76 PDE5A (0.56) PDE5A
SCHEMBL6412773 0.71 PDE5A (1.00) PDE5A
SCHEMBL6411846 0.66 PDE5A (0.61) PDE5A
SCHEMBL6405906 0.66 PDE5A (0.53) PDE5APDE6C
SCHEMBL6412618 0.66 PDE5A (0.53) PDE5APDE6C

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