SCHEMBL24297429

SCHEMBL24297429

CCOC(O)C1(C)C(=O)Nc2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)nc(Br)c21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 20/20 0.49
▸ GUCY1A2 P33402 20/20 0.49
▸ GUCY1A1 Q02108 20/20 0.49
▸ GUCY1B1 Q02153 20/20 0.49
▸ OPRK1 P41145 1/20 0.48
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL20211706 0.86 GUCY1B2 (0.56) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16906964 0.85 PDE5A (0.53) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17616791 0.79 PDE5A (0.53) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17611011 0.78 PDE5A (0.57) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15087569 0.78 GUCY1B2 (0.64) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16082641 0.78 GUCY1B2 (0.56) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL23639455 0.77 GUCY1A1 (0.44) GUCY1A1GUCY1B1
SCHEMBL17618950 0.77 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16907013 0.77 GUCY1B2 (0.60) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16907047 0.76 GUCY1B2 (0.61) 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-3411026-B1 USE OF STIMULATORS OF SOLUBLE GUANYLATE CYCLASE FOR THE TREATMENT OF NONALCOHOLIC STEATOHEPATITIS (NASH) CYCLERION THERAPEUTICS INC (US) 2022-03-09 — — EP disclosed
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