SCHEMBL18596917

SCHEMBL18596917

c1ccc(Cn2nc(-c3nccc(N4CCCCCCC4)n3)cc2-c2ccon2)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 20/20 0.57
▸ GUCY1A2 P33402 20/20 0.57
▸ GUCY1A1 Q02108 20/20 0.57
▸ GUCY1B1 Q02153 20/20 0.57
▸ OPRK1 P41145 1/20 0.52

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
SCHEMBL21117998 0.86 GUCY1B2 (0.52) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18596947 0.83 GUCY1B2 (0.57) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17481624 0.81 GUCY1B2 (0.74) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16082071 0.79 GUCY1B2 (0.77) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17481626 0.74 GUCY1B2 (0.80) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18596916 0.74 GUCY1B2 (0.63) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15087454 0.74 GUCY1B2 (0.63) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16081817 0.73 GUCY1B2 (1.00) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3436751 0.72 GUCY1B2 (0.53) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL23032380 0.72 GUCY1B2 (0.81) 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
US-9586937-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2017-03-07 — — US disclosed
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