SCHEMBL7376126

SCHEMBL7376126

CCc1[nH]c(=O)c(C#N)cc1C(=O)c1ccoc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.44
▸ PDE3A Q14432 2/20 0.44
▸ KDM4E B2RXH2 10/20 0.35
▸ KMT2A Q03164 7/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ POLB P06746 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HPGD P15428 3/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TRPA1 O75762 1/20 0.32

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
SCHEMBL10807248 0.84 KDM4E (0.43) PDE3BPDE3AKDM4EKMT2AALDH1A1
SCHEMBL10680809 0.83 DRD2 (0.36) PDE3BPDE3AKDM4EKMT2AHSD17B10
SCHEMBL10680981 0.81 DRD2 (0.38) PDE3BPDE3AMAPTDRD2GAA
SCHEMBL10683067 0.81 KDM4E (0.37) PDE3BPDE3AKDM4EALDH1A1MAPT
SCHEMBL7384614 0.81 PDE3B (0.47) PDE3BPDE3AKDM4EKMT2AALDH1A1
SCHEMBL7383615 0.81 PDE3B (0.46) PDE3BPDE3AKDM4EKMT2AALDH1A1
SCHEMBL7384727 0.81 PDE3B (0.62) PDE3BPDE3AKDM4EKMT2AMAPT
SCHEMBL10684915 0.81 CDC7 (0.40) PDE3BPDE3AALDH1A1MAPTDRD2
SCHEMBL7381645 0.79 PDE3B (0.44) PDE3BPDE3AKDM4EKMT2AALDH1A1
SCHEMBL7385630 0.79 MAPT (0.45) PDE3BPDE3AKDM4EKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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