SCHEMBL20284993

SCHEMBL20284993

OCCOc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3I)n2)ncc1F

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 20/20 0.67
▸ GUCY1A2 P33402 20/20 0.67
▸ GUCY1A1 Q02108 20/20 0.67
▸ GUCY1B1 Q02153 20/20 0.67
▸ OPRK1 P41145 1/20 0.54

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
SCHEMBL17614798 0.92 GUCY1B2 (0.79) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17614788 0.81 GUCY1B2 (0.78) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17614789 0.81 GUCY1B2 (0.80) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15087456 0.81 GUCY1B2 (1.00) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL30513569 0.81 GUCY1B2 (1.00) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17614804 0.80 GUCY1B2 (0.76) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17614774 0.80 GUCY1B2 (0.75) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17614817 0.79 GUCY1B2 (0.74) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18405139 0.79 GUCY1B2 (0.57) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17614797 0.79 GUCY1B2 (1.00) 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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