SCHEMBL4004424

SCHEMBL4004424

Cc1cc(-c2ccc(C#N)cc2)ccc1COc1ccc(Cl)cc1-c1cccc(N2CCC(C(=O)O)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 12/20 0.41
GUCY1A2 P33402 12/20 0.41
GUCY1A1 Q02108 12/20 0.41
GUCY1B1 Q02153 12/20 0.41
PTGDR Q13258 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CD274 Q9NZQ7 4/20 0.39
FFAR1 O14842 1/20 0.39
PDCD1 Q15116 2/20 0.38
PTGER1 P34995 1/20 0.38

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
SCHEMBL3994754 0.93 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3999066 0.91 SCN9A (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PDE4A
SCHEMBL3997026 0.90 SCN9A (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PTGDR
SCHEMBL3996943 0.90 PTGDR (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PTGDR
SCHEMBL4003135 0.89 PTGDR2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PDE4A
SCHEMBL3228802 0.88 SMN1; SMN2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL4005292 0.86 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3994180 0.86 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3997130 0.84 SCN9A (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PDE4A
SCHEMBL14953154 0.84 GUCY1B2 (0.44) 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-2015095515-A1 SGC ACTIVATORS FOR THE TREATMENT OF GLAUCOMA NOVARTIS AG (CH) 2015-06-25 WO disclosed
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-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed