SCHEMBL17619327

SCHEMBL17619327

CCOC(=O)C(C)(C)c1nnc(-c2cc(-c3ccon3)n(Cc3ccccc3C)n2)nc1O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 20/20 0.46
▸ GUCY1A2 P33402 20/20 0.46
▸ GUCY1A1 Q02108 20/20 0.46
▸ GUCY1B1 Q02153 20/20 0.46
▸ OPRK1 P41145 1/20 0.42
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL17611635 0.92 GUCY1B2 (0.56) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17619359 0.86 GUCY1B2 (0.56) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16906885 0.83 GUCY1B2 (0.64) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17619347 0.83 GUCY1B2 (0.55) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17620938 0.83 GUCY1B2 (0.60) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17619360 0.82 GUCY1B2 (0.55) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL19456906 0.82 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17610974 0.81 GUCY1B2 (0.58) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL20685136 0.79 GUCY1B2 (0.62) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL20226429 0.76 GUCY1B2 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016044446-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-03-24 — — WO disclosed
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