SCHEMBL18405059

SCHEMBL18405059

CNC/C=C\Cc1cc(-c2ncc(OC)c(N)n2)nn1Cc1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 11/20 0.46
▸ GUCY1A2 P33402 11/20 0.46
▸ GUCY1A1 Q02108 11/20 0.46
▸ GUCY1B1 Q02153 11/20 0.46
▸ OPRK1 P41145 1/20 0.41
▸ BUB1 O43683 7/20 0.40
▸ ADORA3 P0DMS8 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL15075373 0.81 GUCY1B2 (0.53) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18899302 0.79 GUCY1B2 (0.37) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15075434 0.79 GUCY1B2 (0.51) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15075440 0.79 GUCY1B2 (0.51) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437391 0.76 GUCY1B2 (0.80) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18899080 0.74 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL14843520 0.71 BUB1 (0.68) BUB1
SCHEMBL16324219 0.71 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18899190 0.71 GUCY1B2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15075385 0.70 BUB1 (0.50) 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-2588465-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2017-01-25 — — EP disclosed
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