SCHEMBL4000642

SCHEMBL4000642

CCOC(=O)C1CCN(c2cccc(-c3cc(C)ccc3OCc3ccc(B4OC(C)(C)C(C)(C)O4)cc3C)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 20/20 0.45
GUCY1A2 P33402 20/20 0.45
GUCY1A1 Q02108 20/20 0.45
GUCY1B1 Q02153 20/20 0.45

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
SCHEMBL3998970 0.92 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL4000871 0.91 L3MBTL1 (0.38) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL7937211 0.89 GUCY1B2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3234865 0.88 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL8021025 0.83 GUCY1B2 (0.39) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3229753 0.80 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3995161 0.79 CCR5 (0.51) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL7934714 0.79 MAPT (0.36)
SCHEMBL3994735 0.77 GUCY1A1 (0.52) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3996895 0.75 MAPT (0.48)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed