SCHEMBL2509735

SCHEMBL2509735

CC(NC(=O)O)c1c(N)nc(-n2nc(Cc3c(F)ccc(F)c3F)c3cc(-c4ccccc4)ccc32)nc1N

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 17/20 0.55
GUCY1B1 Q02153 17/20 0.55
KCNH2 Q12809 10/20 0.53
PPARG P37231 2/20 0.42
PDE5A O76074 1/20 0.40

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
SCHEMBL2445626 0.90 GUCY1A1 (0.65) GUCY1A1GUCY1B1KCNH2
SCHEMBL14481625 0.85 GUCY1A1 (0.55) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL14481628 0.83 GUCY1A1 (0.67) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL14549833 0.82 GUCY1A1 (0.80) GUCY1A1GUCY1B1KCNH2
SCHEMBL2515924 0.78 GUCY1A1 (0.55) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2441717 0.78 GUCY1A1 (0.66) GUCY1A1GUCY1B1KCNH2
SCHEMBL2499892 0.77 GUCY1A1 (0.53) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2453466 0.77 GUCY1A1 (0.80) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL14481672 0.75 GUCY1A1 (0.67) GUCY1A1GUCY1B1KCNH2
SCHEMBL2508215 0.74 GUCY1A1 (0.82) 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