SCHEMBL7545376

SCHEMBL7545376

CC[C@H](C)C1CN2C(=N1)N(C)C(=O)c1c2nc(C)n1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 15/20 0.56
▸ PDE4A P27815 3/20 0.46
▸ PDE4B Q07343 2/20 0.46
▸ PDE4C Q08493 2/20 0.46
▸ PDE4D Q08499 2/20 0.46
▸ P2RX7 Q99572 3/20 0.46
▸ PDE6D O43924 1/20 0.43
▸ PDE6A P16499 1/20 0.43
▸ PDE6G P18545 1/20 0.43
▸ PDE6B P35913 1/20 0.43
▸ PDE6C P51160 1/20 0.43
▸ PDE6H Q13956 1/20 0.43
▸ PDE11A Q9HCR9 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.43

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
SCHEMBL193870 1.00 PDE5A (0.56) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL232826 0.91 PDE5A (0.59) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL194126 0.91 PDE5A (0.59) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL194125 0.91 PDE5A (0.59) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL716866 0.84 PDE5A (0.59) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7438566 0.84 PDE5A (0.59) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL194179 0.84 PDE5A (0.64) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL714019 0.84 PDE5A (0.62) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL715367 0.82 PDE5A (0.61) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL194127 0.82 PDE5A (0.61) PDE5APDE4APDE4BPDE4CPDE4D

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
US-5393755-A Hypotensive agents, enzyme inhibitors SCHERING CORPORATION (US) 1995-02-28 — — US disclosed
EP-0538332-A1 POLYCYCLIC GUANINE DERIVATIVES. SCHERING CORP (US) 1993-04-28 — — EP disclosed
WO-1991019717-A1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORPORATION (US) 1991-12-26 — — WO disclosed
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