SCHEMBL7384310

SCHEMBL7384310

CCc1[nH]c(=O)c(C#N)cc1C(=O)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.52
▸ PDE3A Q14432 3/20 0.52
▸ GRM4 Q14833 5/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 6/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 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
SCHEMBL9770587 0.84 KDM4E (0.49) PDE3BPDE3AGRM4RAB9AKDM4E
SCHEMBL10679859 0.83 CTNNB1 (0.43) RAB9AKDM4EALDH1A1HPGDLMNA
SCHEMBL10675049 0.82 KMT2A (0.43) RAB9AKDM4EALDH1A1HPGDLMNA
SCHEMBL10676766 0.82 CDC7 (0.42) RAB9AKDM4EALDH1A1HPGDLMNA
SCHEMBL10681828 0.81 CDC7 (0.47) RAB9AKDM4EALDH1A1HPGDLMNA
SCHEMBL7384727 0.80 PDE3B (0.62) PDE3BPDE3AKDM4EHPGDPDE5A
SCHEMBL10680545 0.78 ALDH1A1 (0.50) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL7381648 0.77 PDE3B (0.44) PDE3BPDE3ARAB9AKDM4EALDH1A1
SCHEMBL10680104 0.76 KMT2A (0.44) RAB9AKDM4EALDH1A1LMNAKMT2A
SCHEMBL10679720 0.76 PDE3B (0.45) PDE3BPDE3AKDM4EALDH1A1HPGD

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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