SCHEMBL20285326

SCHEMBL20285326

COCCCNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 20/20 0.74
▸ GUCY1A2 P33402 20/20 0.74
▸ GUCY1A1 Q02108 20/20 0.74
▸ GUCY1B1 Q02153 20/20 0.74
▸ OPRK1 P41145 1/20 0.59

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
SCHEMBL17611639 0.89 GUCY1B2 (0.75) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16082285 0.89 GUCY1B2 (0.75) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17620436 0.89 GUCY1B2 (0.70) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17611692 0.89 GUCY1B2 (0.74) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17620437 0.88 GUCY1B2 (0.69) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16907011 0.88 GUCY1B2 (0.79) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16082339 0.88 GUCY1B2 (0.77) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17620481 0.87 GUCY1B2 (0.72) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17611620 0.87 GUCY1B2 (0.65) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16082258 0.87 GUCY1B2 (0.77) 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-2018111795-A2 USE OF SGC STIMULATORS FOR THE TREATMENT OF ESOPHAGEAL MOTILITY DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-06-21 — — WO disclosed
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