SCHEMBL20161210

SCHEMBL20161210

C=COCc1n[nH]c(-c2nn(Cc3ccccc3F)c3ncc(CCC)cc23)n1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.41
GUCY1A1 Q02108 1/20 0.35
GUCY1B1 Q02153 1/20 0.35

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
SCHEMBL20161094 0.83 PDE5A (0.48) PDE5A
SCHEMBL20140166 0.75 ADORA3 (0.51) PDE5A
SCHEMBL24040790 0.70 ADORA3 (0.47) PDE5A
SCHEMBL20141166 0.69 PDE5A (0.50) PDE5A
SCHEMBL20140421 0.69 PDE5A (0.51) PDE5AGUCY1A1GUCY1B1
SCHEMBL20140170 0.68 PDE5A (0.51) PDE5A
SCHEMBL20139731 0.68 PDE5A (0.49) PDE5A
SCHEMBL20139751 0.68 PDE5A (0.48) PDE5A
SCHEMBL20139781 0.68 ADORA3 (0.51) PDE5A
SCHEMBL20161257 0.68 PDE5A (0.49) 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
WO-2018089330-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed