SCHEMBL7186519

SCHEMBL7186519

COC(=O)CCc1nc(Cl)c2cc(C)sc2n1.COC(=O)CCc1nc(NCc2ccc(OC)c(Cl)c2)c2cc(C)sc2n1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.42
BCDIN3D Q7Z5W3 2/20 0.41
ACHE P22303 1/20 0.40
PDE11A Q9HCR9 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
SCHEMBL6709518 0.97 PDE5A (0.43) PDE5ABCDIN3DACHEPDE11A
SCHEMBL7096128 0.92 PDE5A (0.43) PDE5ABCDIN3DACHEPDE11A
SCHEMBL6706664 0.91 PDE5A (0.41) PDE5ABCDIN3DACHEPDE11A
SCHEMBL6707049 0.91 PDE5A (0.41) PDE5ABCDIN3DACHEPDE11A
SCHEMBL7183160 0.90 PDE5A (0.41) PDE5ABCDIN3DACHEPDE11A
SCHEMBL6706997 0.90 PDE5A (0.41) PDE5ABCDIN3DACHEPDE11A
SCHEMBL6706625 0.90 ACHE (0.44) PDE5ABCDIN3DACHEPDE11A
SCHEMBL6709442 0.89 PDE5A (0.43) PDE5ABCDIN3DACHEPDE11A
SCHEMBL27675479 0.87 PDE11A (0.41) PDE5AACHEPDE11A
SCHEMBL6707022 0.87 ACHE (0.43) PDE5ABCDIN3DACHEPDE11A

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
EP-1355649-A2 PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO 4,3-D]PYRIMIDINE AND NITRATES OR THIENOPYRIMIDINES AND NITRATES MERCK PATENT GmbH (DE) 2003-10-29 EP disclosed
WO-2002060449-A2 PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO[4,3-D]PYRIMIDINE AND NITRATES OR THIENOPYRIMIDINES AND NITRATES MERCK PATENT GMBH (DE) 2002-08-08 WO disclosed