SCHEMBL3439272

SCHEMBL3439272

Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1NC=O

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 20/20 0.77
▸ GUCY1A2 P33402 20/20 0.77
▸ GUCY1A1 Q02108 20/20 0.77
▸ GUCY1B1 Q02153 20/20 0.77
▸ OPRK1 P41145 1/20 0.67

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
SCHEMBL3436748 0.89 GUCY1B2 (0.81) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
Hydrochloric Acid SCHEMBL10322112 0.88 GUCY1B2 (0.80) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3439299 0.87 GUCY1B2 (1.00) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL29778216 0.87 GUCY1B2 (1.00) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15068500 0.87 GUCY1B2 (0.76) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437273 0.87 GUCY1B2 (0.72) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437556 0.86 GUCY1B2 (0.75) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3436901 0.86 GUCY1B2 (0.75) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15780017 0.86 GUCY1B2 (0.87) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3436905 0.86 GUCY1B2 (0.87) 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
WO-2012003405-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-01-05 — — WO disclosed
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