SCHEMBL18404834

SCHEMBL18404834

N=C(/C=C\N=O)c1cc(-c2ncc(N3CCOCC3)c(N)n2)nn1Cc1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 20/20 0.46
▸ GUCY1A2 P33402 20/20 0.46
▸ GUCY1A1 Q02108 20/20 0.46
▸ GUCY1B1 Q02153 20/20 0.46
▸ OPRK1 P41145 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
SCHEMBL3439239 0.76 GUCY1B2 (0.77) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL29831392 0.76 GUCY1B2 (0.77) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17918655 0.73 GUCY1B2 (0.35) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18405172 0.73 TP53 (0.37) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16906933 0.72 GUCY1B2 (0.66) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18405285 0.72 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL19513353 0.72 GUCY1B2 (0.72) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18405227 0.72 GUCY1B2 (0.49) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL29859363 0.71 PDE5A (0.50) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18899069 0.71 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588465-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2017-01-25 — — EP disclosed
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