SCHEMBL2438739

SCHEMBL2438739

CCN(C(=O)O)c1c(N)nc(-n2nc(Cc3c(F)ccc(F)c3F)c3cc(Cl)ccc32)nc1N

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 18/20 0.72
GUCY1B1 Q02153 18/20 0.72
KCNH2 Q12809 13/20 0.72
PDE5A O76074 1/20 0.51

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
SCHEMBL2520175 0.90 GUCY1A1 (0.82) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2445889 0.89 GUCY1A1 (0.71) GUCY1A1GUCY1B1KCNH2
SCHEMBL2449089 0.87 GUCY1A1 (0.58) GUCY1A1GUCY1B1KCNH2
SCHEMBL14549781 0.84 GUCY1A1 (1.00) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2508215 0.82 GUCY1A1 (0.82) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL14482021 0.81 GUCY1A1 (0.70) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL14481847 0.81 GUCY1A1 (0.70) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2554909 0.81 GUCY1A1 (0.65) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL14549775 0.80 GUCY1A1 (1.00) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL14481710 0.80 GUCY1A1 (0.67) GUCY1A1GUCY1B1KCNH2PDE5A

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