SCHEMBL7424736

SCHEMBL7424736

CN1CCN(CC2CC(=O)NN=C2c2ccc3c(c2)CNC(=O)N3)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 11/20 0.47
▸ PDE3A Q14432 11/20 0.47
▸ CYP11B1 P15538 2/20 0.45
▸ CYP11B2 P19099 2/20 0.45
▸ GPR119 Q8TDV5 3/20 0.44
▸ PDE4A P27815 2/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4C Q08493 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ PDE2A O00408 1/20 0.39

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
SCHEMBL7414941 0.83 PDE3B (0.48) PDE3BPDE3ACYP11B1CYP11B2GPR119
SCHEMBL7421106 0.79 PDE3B (0.46) PDE3BPDE3AGPR119
SCHEMBL7416619 0.77 GPR119 (0.46) PDE3BPDE3AGPR119
SCHEMBL7420928 0.72 PDE3B (0.49) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL7417655 0.70 PDE3B (0.47) PDE3BPDE3AGPR119PDE4APDE4B
Hydrochloric Acid SCHEMBL7408040 0.69 PDE3B (0.47) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL11325987 0.68 PDE3B (0.69) PDE3BPDE3ACYP11B1CYP11B2GPR119
SCHEMBL7417981 0.68 PDE3B (0.57) PDE3BPDE3ACYP11B1CYP11B2PDE4A
SCHEMBL17021496 0.66 PDE3B (0.52) PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL11317688 0.65 PDE3B (0.49) PDE3BPDE3AGPR119PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4868300-A INOTROPIC AGENTS, CONGESTIVE HEART FAILURE RORER PHARMACEUTICAL CORPORATION (US) 1989-09-19 — — US claimed
EP-0247177-A4 BENZODIAZINONE-PYRIDAZINONE AND HYDROXY-PYRAZOLYL COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES. RORER INTERNAT OVERSEAS INC (US) 1988-04-06 — — EP claimed
EP-0247177-A1 BENZODIAZINONE-PYRIDAZINONE AND HYDROXY-PYRAZOLYL COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) 1987-12-02 — — EP claimed
WO-1987003201-A1 BENZODIAZINONE-PYRIDAZINONE AND HYDROXY-PYRAZOLYL COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1987-06-04 — — WO claimed
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