SCHEMBL20309965

SCHEMBL20309965

C=C1C=C(CNc2nc(-c3cc(CC)n(Cc4ccccc4F)n3)ncc2F)CN1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 15/20 0.46
▸ GUCY1A2 P33402 15/20 0.46
▸ GUCY1A1 Q02108 15/20 0.46
▸ GUCY1B1 Q02153 15/20 0.46
▸ BUB1 O43683 4/20 0.38
▸ OPRK1 P41145 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL20309887 0.81 GUCY1B2 (0.54) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL20309891 0.80 GUCY1B2 (0.51) GUCY1B2GUCY1A2GUCY1A1GUCY1B1BUB1
SCHEMBL23434889 0.79 GUCY1B2 (0.52) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL20309905 0.78 GUCY1B2 (0.51) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL23434823 0.76 GUCY1B2 (0.51) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL20310014 0.76 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL20309975 0.75 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL20284705 0.75 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL20309934 0.74 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL20309829 0.72 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1BUB1

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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