SCHEMBL10729972

SCHEMBL10729972

O=c1ccc2c(Br)nccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 20/20 1.00
PDE3A Q14432 20/20 1.00

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
SCHEMBL10377596 0.77 PDE3B (0.62) PDE3BPDE3A
SCHEMBL10725071 0.77 PDE3B (0.62) PDE3BPDE3A
Medorinone SCHEMBL121782 0.77 PDE3B (1.00) PDE3BPDE3A
SCHEMBL10378892 0.76 PDE3B (0.73) PDE3BPDE3A
SCHEMBL10810836 0.73 PDE3B (0.71) PDE3BPDE3A
SCHEMBL7378876 0.73 PDE3B (1.00) PDE3BPDE3A
SCHEMBL14090714 0.73 PDE3B (0.62) PDE3BPDE3A
SCHEMBL10725028 0.73 PDE3B (0.57) PDE3BPDE3A
SCHEMBL30688515 0.73 PDE3B (0.57) PDE3BPDE3A
SCHEMBL10810746 0.73 PDE3B (1.00) PDE3BPDE3A

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-4657915-A INOTROPIC AGENTS STERLING DRUG INC. (US) 1987-04-14 US claimed
EP-0189853-A2 1,6-Naphthyridin-2(1H)-ones having cardiotonic activity and preparation STERLING DRUG INC. (US) 1986-08-06 EP claimed
US-4716170-A 5-[1H-(5-membered-N-aromatic heteryl)-1-yl]-1,6-naphthyridin-2(1H)-ones and their cardiotonic use STERLING DRUG INC. (US) 1987-12-29 US disclosed
US-4697021-A 1,6-dihydro-6-oxo-3-pyridinecarbonitriles, intermediates for cardiotonic agents STERLING DRUG INC. (US) 1987-09-29 US disclosed
US-4657915-A INOTROPIC AGENTS STERLING DRUG INC. (US) 1987-04-14 US disclosed
US-4634772-A 2-[2-(di-lower-alkylamino)-1-propenyl]-6-methoxy-3-pyridinecarbonitriles, intermediates for cardiotonic agents STERLING DRUG INC. (US) 1987-01-06 US disclosed
EP-0189853-A2 1,6-Naphthyridin-2(1H)-ones having cardiotonic activity and preparation STERLING DRUG INC. (US) 1986-08-06 EP disclosed