SCHEMBL20161266

SCHEMBL20161266

O=C1c2ccccc2C(O)N1Cc1n[nH]c(-c2nn(Cc3ccccc3F)c3ncccc23)n1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.45
ADORA3 P0DMS8 1/20 0.42
KCNH2 Q12809 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
SCHEMBL20139760 0.85 PDE5A (0.49) PDE5AADORA3KCNH2
SCHEMBL21787180 0.83 PDE5A (0.46) PDE5AADORA3KCNH2
SCHEMBL20140170 0.81 PDE5A (0.51) PDE5AADORA3KCNH2
SCHEMBL20141166 0.80 PDE5A (0.50) PDE5AADORA3KCNH2
SCHEMBL20140370 0.80 PDE5A (0.49) PDE5AADORA3KCNH2
SCHEMBL20139731 0.79 PDE5A (0.49) PDE5AADORA3KCNH2
SCHEMBL20140216 0.78 PDE5A (0.50) PDE5AADORA3KCNH2
SCHEMBL20140292 0.77 PDE5A (0.48) PDE5AADORA3KCNH2
SCHEMBL20140394 0.77 PDE5A (0.48) PDE5A
SCHEMBL20140385 0.77 PDE5A (0.52) PDE5AADORA3KCNH2

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