SCHEMBL16298468

SCHEMBL16298468

CC[C@@H]1CN2C(=N1)N(CC)C(=O)c1c2ncn1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 17/20 0.62
▸ PDE6D O43924 1/20 0.52
▸ PDE6A P16499 1/20 0.52
▸ PDE6G P18545 1/20 0.52
▸ PDE4A P27815 1/20 0.52
▸ PDE6B P35913 1/20 0.52
▸ PDE6C P51160 1/20 0.52
▸ PDE4B Q07343 1/20 0.52
▸ PDE4C Q08493 1/20 0.52
▸ PDE4D Q08499 1/20 0.52
▸ PDE6H Q13956 1/20 0.52
▸ PDE11A Q9HCR9 1/20 0.52
▸ PDE10A Q9Y233 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL16312793 0.88 PDE5A (0.55) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL16298380 0.82 PDE5A (0.74) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL6626596 0.81 PDE5A (0.56) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL6626597 0.81 PDE5A (0.56) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL16298420 0.80 TSHR (0.50) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL16298474 0.79 PDE5A (0.54) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL6626598 0.78 PDE5A (0.53) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL16298486 0.76 PDE5A (0.52) PDE5APDE4AALDH1A1TSHR
SCHEMBL6525072 0.72 PDE5A (0.78) PDE5A
SCHEMBL6525078 0.72 PDE5A (0.78) PDE5A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421084-B1 POLYCYCLIC GUANINE PHOSPHODIESTERASE V INHIBITORS SCHERING CORP (US) 2008-05-14 — — EP disclosed
EP-1790652-A1 Polycyclic guanine phosphodiesterase V inhibitors Schering Corporation (US) 2007-05-30 — — EP disclosed
WO-2003020724-A1 POLYCYCLIC GUANINE PHOSPHODIESTERASE V INHIBITORS SCHERING CORPORATION (US) 2003-03-13 — — WO disclosed
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