SCHEMBL9718419

SCHEMBL9718419

CC1CC(=O)NN=C1c1ccc2c(c1)CCC(=O)N2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 16/20 1.00
PDE3A Q14432 16/20 1.00
PDE4A P27815 3/20 0.60
PDE4B Q07343 3/20 0.60
PDE4C Q08493 3/20 0.60
PDE4D Q08499 3/20 0.60
CYP17A1 P05093 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
GALR3 O60755 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL11329147 0.89 PDE3B (0.80) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11315739 0.85 PDE3B (0.74) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11328012 0.84 PDE3B (0.72) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7467935 0.83 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11327213 0.82 PDE3B (0.70) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10810733 0.82 PDE3B (0.69) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11322663 0.82 PDE3B (0.69) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9731374 0.81 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11316667 0.79 PDE3B (0.65) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7349060 0.79 PDE3B (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4258185-A HYPOTENSIVE, ANTITHROMBOTIC AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1981-03-24 US claimed
JP-55049319-A None JP disclosed
EP-0260527-B1 SYNERGETIC COMBINATION COMPRISING A PHOSPHODIESTERASE INHIBITOR AND A THROMBOXAN-A2-ANTAGONIST, AND THEIR USE OR MANUFACTURE Dr. Karl Thomae GmbH (DE) 1992-04-01 EP disclosed
EP-0306846-A2 Synergistic combination comprising a phosphodiesterase inhibitor and a thromboxane-A2 antagonist, and its use or preparation Dr. Karl Thomae GmbH (DE) 1989-03-15 EP disclosed
EP-0260527-A2 Synergetic combination comprising a phosphodiesterase inhibitor and a thromboxan-A2-antagonist, and their use or manufacture Dr. Karl Thomae GmbH (DE) 1988-03-23 EP disclosed
EP-0155798-A1 Pyridazone inotropic agents ELI LILLY AND COMPANY (US) 1985-09-25 EP disclosed
US-4258185-A HYPOTENSIVE, ANTITHROMBOTIC AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1981-03-24 US disclosed
JP-S5549319-A REMEDY FOR SUPPRESSION OF BLOOD PLATELET-AGGLUTINATION YOSHITOMI PHARMACEUT IND LTD 1980-04-09 JP disclosed