SCHEMBL20161333

SCHEMBL20161333

Cc1n[nH]c(-c2nn(CCC(F)(F)C(F)(F)F)c3ncccc23)n1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 15/20 0.45
GUCY1B1 Q02153 15/20 0.45
PDE5A O76074 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL21787437 0.91 PDE5A (0.43) GUCY1A1GUCY1B1PDE5AL3MBTL1GSK3B
SCHEMBL21787263 0.90 L3MBTL1 (0.38) GUCY1A1GUCY1B1PDE5AL3MBTL1
SCHEMBL20140169 0.87 GUCY1A1 (0.41) GUCY1A1GUCY1B1PDE5A
SCHEMBL24040769 0.79 PDE5A (0.44) PDE5AL3MBTL1
SCHEMBL21787225 0.79 L3MBTL1 (0.60) GUCY1A1GUCY1B1PDE5AL3MBTL1
SCHEMBL21787236 0.78 L3MBTL1 (0.47) PDE5AL3MBTL1
SCHEMBL24205856 0.78 PDE5A (0.45) PDE5AL3MBTL1
SCHEMBL21787195 0.78 L3MBTL1 (0.44) GUCY1A1GUCY1B1PDE5AL3MBTL1
SCHEMBL21787238 0.78 L3MBTL1 (0.49) PDE5AL3MBTL1
SCHEMBL20140411 0.78 L3MBTL1 (0.46) PDE5AL3MBTL1

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