SCHEMBL20309906

SCHEMBL20309906

CCc1cc(-c2ncc(F)c(N3CCC(C)(CC)CC3)n2)nn1Cc1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 20/20 0.60
▸ GUCY1A2 P33402 20/20 0.60
▸ GUCY1A1 Q02108 20/20 0.60
▸ GUCY1B1 Q02153 20/20 0.60
▸ CYP2C9 P11712 1/20 0.42

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
SCHEMBL20309969 0.93 GUCY1B2 (0.61) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL20310023 0.90 GUCY1B2 (0.60) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL23434499 0.86 GUCY1B2 (0.69) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL23434887 0.85 GUCY1B2 (0.55) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL23434732 0.83 GUCY1B2 (0.53) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL23434369 0.83 GUCY1B2 (0.52) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL20310006 0.82 GUCY1B2 (0.55) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL23434890 0.79 GUCY1B2 (0.51) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL23434793 0.78 GUCY1B2 (0.54) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL23434813 0.78 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9

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-3092231-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2018-06-27 — — EP disclosed
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