SCHEMBL10627593

SCHEMBL10627593

CC1CC(=O)NN=C1c1ccc(-n2cncn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 13/20 0.63
▸ PDE3A Q14432 13/20 0.63
▸ PDE4A P27815 2/20 0.63
▸ PDE4B Q07343 2/20 0.63
▸ PDE4C Q08493 2/20 0.63
▸ PDE4D Q08499 2/20 0.63
▸ PDE2A O00408 1/20 0.55
▸ PDE1A P54750 1/20 0.55
▸ PDE1B Q01064 1/20 0.55
▸ PDE1C Q14123 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ HRH3 Q9Y5N1 4/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ALOX15 P16050 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
SCHEMBL10553072 0.83 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10353457 0.81 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16157200 0.79 PDE3B (0.73) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10518825 0.78 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
Ci-930 SCHEMBL6052113 0.78 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10646441 0.77 PBRM1 (0.49) PDE3BPDE3APDE4APDE4BPDE4C
Ci-930 SCHEMBL10657390 0.77 PDE3B (0.98) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16157192 0.76 PDE3B (0.58) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16156962 0.76 PDE3B (0.58) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL6212364 0.75 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C

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-4717730-A HYPOTENSIVE AND CARDIOTONIC AGENTS WARNER-LAMBERT COMPANY (US) 1988-01-05 — — US disclosed
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