SCHEMBL10629606

SCHEMBL10629606

CC1CC(=O)NN=C1c1ccc(-n2cnc3ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 10/20 0.62
▸ PDE3A Q14432 10/20 0.62
▸ PDE2A O00408 2/20 0.62
▸ PDE1A P54750 1/20 0.62
▸ PDE1B Q01064 1/20 0.62
▸ PDE1C Q14123 1/20 0.62
▸ PDE4A P27815 2/20 0.56
▸ PDE4B Q07343 2/20 0.56
▸ PDE4C Q08493 2/20 0.56
▸ PDE4D Q08499 2/20 0.56
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GPR119 Q8TDV5 3/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.46
▸ HTT P42858 2/20 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
SCHEMBL10552154 0.86 PDE3A (0.48) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10688158 0.85 PDE3A (0.47) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10353457 0.77 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
Tetrahydrobenximidazole SCHEMBL10625034 0.76 PDE3B (1.00) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7280920 0.76 PDE3B (1.00) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10620570 0.76 PDE3B (0.63) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL11268997 0.76 PDE3B (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7296342 0.76 PDE3B (0.61) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16157002 0.76 PDE3B (0.61) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16157200 0.75 PDE3B (0.73) PDE3BPDE3APDE2APDE1APDE1B

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
Send feedback