SCHEMBL7417655

SCHEMBL7417655

CN(C)CC1CC(=O)NN=C1c1ccc2c(c1)CN(C)C(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 9/20 0.47
▸ PDE3A Q14432 9/20 0.47
▸ BRD4 O60885 4/20 0.45
▸ CREBBP Q92793 2/20 0.44
▸ BRD2 P25440 1/20 0.44
▸ PDE4A P27815 2/20 0.40
▸ PDE4B Q07343 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ GPR119 Q8TDV5 6/20 0.39
▸ PDE2A O00408 1/20 0.38

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
Hydrochloric Acid SCHEMBL7408040 0.99 PDE3B (0.47) PDE3BPDE3ABRD4CREBBPBRD2
SCHEMBL7420928 0.87 PDE3B (0.49) PDE3BPDE3ABRD4CREBBPBRD2
SCHEMBL7421106 0.84 PDE3B (0.46) PDE3BPDE3ABRD4CREBBPBRD2
SCHEMBL7414941 0.82 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7416619 0.82 GPR119 (0.46) PDE3BPDE3ABRD4CREBBPBRD2
Prinoxodan SCHEMBL122042 0.72 PDE3B (0.55) PDE3BPDE3ABRD4CREBBPBRD2
SCHEMBL7424736 0.70 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11325987 0.69 PDE3B (0.69) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL20889281 0.66 BRD4 (0.60) PDE3BPDE3ABRD4CREBBPBRD2
SCHEMBL10902917 0.66 PDE3B (0.79) 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 5 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
US-4868300-A INOTROPIC AGENTS, CONGESTIVE HEART FAILURE RORER PHARMACEUTICAL CORPORATION (US) 1989-09-19 — — US disclosed
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 disclosed
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 disclosed
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 disclosed
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