SCHEMBL7421106

SCHEMBL7421106

CN1Cc2cc(C3=NNC(=O)CC3CN3CCCCC3)ccc2NC1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ GPR119 Q8TDV5 12/20 0.44
▸ BRD4 O60885 3/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.43
▸ BRD2 P25440 1/20 0.43
▸ CREBBP Q92793 1/20 0.43

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
SCHEMBL7416619 0.90 GPR119 (0.46) PDE3BPDE3AGPR119BRD4BRD2
SCHEMBL7420928 0.85 PDE3B (0.49) PDE3BPDE3AGPR119BRD4BRD2
SCHEMBL7417655 0.84 PDE3B (0.47) PDE3BPDE3AGPR119BRD4BRD2
Hydrochloric Acid SCHEMBL7408040 0.83 PDE3B (0.47) PDE3BPDE3AGPR119BRD4BRD2
SCHEMBL7424736 0.79 PDE3B (0.47) PDE3BPDE3AGPR119
Prinoxodan SCHEMBL122042 0.70 PDE3B (0.55) PDE3BPDE3ABRD4BRD2CREBBP
SCHEMBL11325987 0.68 PDE3B (0.69) PDE3BPDE3AGPR119
SCHEMBL7414941 0.66 PDE3B (0.48) PDE3BPDE3AGPR119
SCHEMBL12017683 0.65 HRH3 (0.77) GPR119HRH3
SCHEMBL20889281 0.65 BRD4 (0.60) PDE3BPDE3ABRD4BRD2CREBBP

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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