SCHEMBL3228941

SCHEMBL3228941

COc1ccc(-c2ccc(COc3ccc(C)cc3-c3csc(N4CCC(C(=O)O)CC4)n3)c(C)c2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 18/20 0.47
GUCY1A2 P33402 18/20 0.47
GUCY1A1 Q02108 18/20 0.47
GUCY1B1 Q02153 18/20 0.47
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
S1PR1 P21453 1/20 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
SCHEMBL14952879 0.92 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3998841 0.89 S1PR1 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1S1PR1
SCHEMBL3233253 0.88 RAB9A (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1RAB9A
SCHEMBL3626338 0.87 S1PR1 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1S1PR1
SCHEMBL3238565 0.87 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1RAB9A
SCHEMBL3228958 0.87 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1RAB9A
SCHEMBL3229980 0.86 RAB9A (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1RAB9A
SCHEMBL3231416 0.86 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL19110961 0.85 GUCY1B2 (0.54) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3229933 0.85 L3MBTL1 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1RAB9A

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 3 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