SCHEMBL254496

SCHEMBL254496

CN(C(=O)O)c1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 20/20 0.65
GUCY1A2 P33402 20/20 0.65
GUCY1A1 Q02108 20/20 0.65
GUCY1B1 Q02153 20/20 0.65
OPRK1 P41145 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL10323139 0.88 GUCY1B2 (0.72) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437547 0.81 GUCY1B2 (0.70) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17611626 0.81 GUCY1B2 (0.77) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL10330218 0.81 GUCY1B2 (0.69) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3439340 0.81 GUCY1B2 (0.71) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16081860 0.81 GUCY1B2 (0.73) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16057317 0.80 GUCY1B2 (0.65) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16082575 0.80 GUCY1B2 (0.84) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16082595 0.80 GUCY1B2 (0.75) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16081969 0.80 GUCY1B2 (0.65) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588465-A1 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2013-05-08 EP disclosed
WO-2012003405-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-01-05 WO disclosed