SCHEMBL3228968

SCHEMBL3228968

Cc1cc(-c2ccc(C#N)cn2)ccc1COc1ccc(C(F)(F)F)cc1-c1csc(N2CCC(C(=O)O)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 13/20 0.39
GUCY1A2 P33402 13/20 0.39
GUCY1A1 Q02108 13/20 0.39
GUCY1B1 Q02153 13/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
CETP P11597 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3235323 0.93 PTGDR2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PTGDR2
SCHEMBL3229937 0.92 PTGDR2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PTGDR2
SCHEMBL3233780 0.91 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1
SCHEMBL3997847 0.89 CETP (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PTGDR2
SCHEMBL3236702 0.85 GUCY1B2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1
SCHEMBL3231021 0.84 SMN1; SMN2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1L3MBTL1
SCHEMBL3228958 0.84 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1
SCHEMBL3239261 0.84 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1
SCHEMBL3233436 0.84 FFAR4 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1
SCHEMBL14952899 0.84 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1L3MBTL1

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
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