SCHEMBL2445293

SCHEMBL2445293

CCC(NC(=O)O)c1c(N)nc(-n2nc(Cc3cc(F)cc(F)c3F)c3ccccc32)nc1N

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 20/20 0.64
GUCY1B1 Q02153 20/20 0.64
KCNH2 Q12809 10/20 0.64

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
SCHEMBL2441717 0.90 GUCY1A1 (0.66) GUCY1A1GUCY1B1KCNH2
SCHEMBL14481987 0.84 GUCY1A1 (0.69) GUCY1A1GUCY1B1KCNH2
SCHEMBL14481807 0.82 GUCY1A1 (0.67) GUCY1A1GUCY1B1KCNH2
SCHEMBL2515924 0.82 GUCY1A1 (0.55) GUCY1A1GUCY1B1KCNH2
SCHEMBL14549806 0.81 GUCY1A1 (0.68) GUCY1A1GUCY1B1KCNH2
SCHEMBL14481809 0.80 GUCY1A1 (0.82) GUCY1A1GUCY1B1KCNH2
SCHEMBL12322395 0.80 GUCY1A1 (0.73) GUCY1A1GUCY1B1KCNH2
SCHEMBL2499892 0.80 GUCY1A1 (0.53) GUCY1A1GUCY1B1KCNH2
SCHEMBL2445297 0.79 GUCY1A1 (0.65) GUCY1A1GUCY1B1KCNH2
SCHEMBL2441721 0.79 GUCY1A1 (0.70) GUCY1A1GUCY1B1KCNH2

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
WO-2011119518-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2011-09-29 WO claimed
WO-2011119518-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2011-09-29 WO disclosed