SCHEMBL22046828

SCHEMBL22046828

C=C(Cn1nc(-c2ncc(F)c(N3CCC(S(=O)(=O)NC(C)=O)CC3)n2)cc1-c1ccon1)/C(F)=C\C=C/C

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 20/20 0.53
▸ GUCY1A2 P33402 20/20 0.53
▸ GUCY1A1 Q02108 20/20 0.53
▸ GUCY1B1 Q02153 20/20 0.53
▸ CYP2C9 P11712 1/20 0.45

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
SCHEMBL16081953 0.83 GUCY1B2 (0.74) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL22046530 0.77 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16082643 0.76 GUCY1B2 (0.76) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL22046815 0.75 GUCY1B2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL18404886 0.73 GUCY1B2 (0.49) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16082046 0.73 GUCY1B2 (0.82) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16082262 0.73 GUCY1B2 (0.80) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL18899388 0.73 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16907014 0.73 GUCY1B2 (0.72) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16082250 0.73 GUCY1B2 (0.71) 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-3660013-A1 SGC STIMULATORS Cyclerion Therapeutics, Inc. (US) 2020-06-03 — — EP disclosed
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