SCHEMBL3231986

SCHEMBL3231986

Cc1ccc(OCc2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2C)c(-c2csc(N3CCC(C(=O)O)CC3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 20/20 0.44
GUCY1A2 P33402 20/20 0.44
GUCY1A1 Q02108 20/20 0.44
GUCY1B1 Q02153 20/20 0.44

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
SCHEMBL14952899 0.95 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3230940 0.93 GUCY1B2 (0.39) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3231416 0.91 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3228958 0.89 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3998943 0.89 GUCY1B2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3627126 0.87 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL14952900 0.87 L3MBTL1 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL14952879 0.86 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
Monoethanolamine SCHEMBL3230998 0.85 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3236783 0.85 GUCY1B2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594270-A2 The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc) BIP Patents (DE) 2013-05-22 EP claimed
WO-2010015652-A2 THIAZOLE COMPOUNDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO claimed
EP-2594270-A2 The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc) BIP Patents (DE) 2013-05-22 EP disclosed
WO-2010015652-A2 THIAZOLE COMPOUNDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed