SCHEMBL20309975

SCHEMBL20309975

C=C(C)C(CNc1nc(-c2cc(CC)n(Cc3ccccc3F)n2)ncc1F)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 19/20 0.47
▸ GUCY1A2 P33402 19/20 0.47
▸ GUCY1A1 Q02108 19/20 0.47
▸ GUCY1B1 Q02153 19/20 0.47
▸ OPRK1 P41145 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL20309905 0.86 GUCY1B2 (0.51) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL20309891 0.86 GUCY1B2 (0.51) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL20310014 0.82 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL23434889 0.82 GUCY1B2 (0.52) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL20309887 0.82 GUCY1B2 (0.54) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL19456637 0.80 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16906879 0.80 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL23434884 0.78 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL20284705 0.78 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL23639470 0.78 GUCY1B2 (0.46) 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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