SCHEMBL5595653

SCHEMBL5595653

CCc1cc(C#N)cc2c(NCc3ccc(OC)c(Cl)c3)c(C(=O)NCc3ccccn3)cnc12.COc1ccc(CNc2c(CN3CC[C@@H](O)C3)cnc3ccc(C#N)cc23)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 17/20 0.73
▸ PDE6D O43924 1/20 0.46
▸ PDE6A P16499 1/20 0.46
▸ PDE6G P18545 1/20 0.46
▸ PDE6B P35913 1/20 0.46
▸ PDE6C P51160 1/20 0.46
▸ PDE6H Q13956 1/20 0.46

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
SCHEMBL7165080 0.85 PDE5A (0.71) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5595725 0.85 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7165068 0.83 PDE5A (0.70) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL6429060 0.83 PDE5A (0.70) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5595481 0.83 PDE5A (1.00) PDE5A
SCHEMBL7167812 0.82 PDE5A (0.69) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7168971 0.80 PDE5A (0.68) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7164710 0.80 PDE5A (0.66) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5595693 0.77 PDE5A (0.78) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7172367 0.76 PDE5A (0.67) PDE5APDE6DPDE6APDE6GPDE6B

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-7173042-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US claimed
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