SCHEMBL7384727

SCHEMBL7384727

CCc1[nH]c(=O)c(C#N)cc1C(=O)c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.62
▸ PDE3A Q14432 5/20 0.62
▸ KDM4E B2RXH2 2/20 0.46
▸ PDE5A O76074 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ CDC7 O00311 2/20 0.42
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 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
SCHEMBL11021179 0.87 PDE3B (0.58) PDE3BPDE3AKDM4EPDE5ALMNA
SCHEMBL7384614 0.86 PDE3B (0.47) PDE3BPDE3AKDM4ELMNAHPGD
SCHEMBL7383615 0.85 PDE3B (0.46) PDE3BPDE3AKDM4ELMNAHPGD
SCHEMBL9770554 0.83 PDE3A (0.59) PDE3BPDE3AKDM4EPDE5ALMNA
SCHEMBL7381645 0.83 PDE3B (0.44) PDE3BPDE3AKDM4ELMNAHPGD
SCHEMBL7385630 0.83 MAPT (0.45) PDE3BPDE3AKDM4ELMNAHPGD
SCHEMBL10681806 0.82 PDE3B (0.55) PDE3BPDE3AKDM4ELMNAHPGD
SCHEMBL7382511 0.81 PDE3B (0.43) PDE3BPDE3AKDM4ELMNAMAPT
SCHEMBL10681743 0.81 PDE3B (0.53) PDE3BPDE3AKDM4EHPGDPDE4A
SCHEMBL10683120 0.81 PDE3B (0.53) PDE3BPDE3AKDM4ELMNAHPGD

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-4992452-A Certain 5-acyl-2-(1H)-pyridinones useful in treating cardiac failure MERRELL DOW PHARMACEUTICALS INC. (US) 1991-02-12 — — US claimed
US-5428045-A 5-acyl-2-(1H)-pyridinoes MERRELL DOW PHARMACEUTICALS INC. (US) 1995-06-27 — — US disclosed
US-5118696-A 5-Acyl-2-(1H)-pyridinones useful for treating cardiac failure MERRELL DOW PHARMACEUTICALS INC. (US) 1992-06-02 — — US disclosed
US-4992452-A Certain 5-acyl-2-(1H)-pyridinones useful in treating cardiac failure MERRELL DOW PHARMACEUTICALS INC. (US) 1991-02-12 — — US disclosed
US-4853395-A Certain 3-carboxylate or 3-carbamyl-5-acyl-2-(1H)-pyridinones having cardiotonic properties MERRELL DOW PHARMACEUTICALS INC. (US) 1989-08-01 — — US disclosed
US-4769380-A Cardiotonic 5-benzoyl-1,2-dihydro-2-oxo-3-pyridinecarboxylates MERRELL DOW PHARMACEUTICALS INC. (US) 1988-09-06 — — US disclosed
US-4731371-A Certain 5-acyl-1,2-dihydro-2-oxo-3-pyridinecarbonitriles which are useful as cardiotonic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-15 — — US disclosed
EP-0124090-B1 5-ACYL-2-(1H)-PYRIDINONES MERRELL DOW PHARMACEUTICALS INC. (US) 1987-04-01 — — EP disclosed
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