SCHEMBL10753296

SCHEMBL10753296

[NH]c1ccc2c(c1)CCC1CC(=O)NN=C21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.54
KCNH2 Q12809 1/20 0.54
PDE3A Q14432 15/20 0.46
PDE3B Q13370 10/20 0.46
PDE4B Q07343 7/20 0.33
PDE4A P27815 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
BRAF P15056 1/20 0.33
PBRM1 Q86U86 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
SCHEMBL8305150 0.84 HRH3 (0.54) HRH3KCNH2PDE3APDE3B
SCHEMBL9602068 0.84 HRH3 (0.57) HRH3KCNH2PDE3APDE3B
Hydrochloric Acid SCHEMBL7314082 0.83 HRH3 (0.56) HRH3KCNH2PDE3APDE3BPDE4B
SCHEMBL10341530 0.82 HRH3 (0.53) HRH3KCNH2PDE3APDE3B
SCHEMBL10341540 0.81 HRH3 (0.50) HRH3KCNH2PDE3APDE3BPDE4B
SCHEMBL10341521 0.81 HRH3 (0.62) HRH3KCNH2PDE3APDE3BPDE4B
SCHEMBL10341574 0.80 PDE3A (0.50) HRH3KCNH2PDE3APDE3BPDE4B
SCHEMBL7312758 0.78 PDE3A (0.59) HRH3KCNH2PDE3APDE3BPDE4B
SCHEMBL10754393 0.77 HRH3 (0.48) HRH3KCNH2PDE3APDE3BPDE4B
SCHEMBL10341508 0.77 PDE3B (0.53) HRH3KCNH2PDE3APDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4692447-A HYPOTENSIVE, VASODILATOR, ANTITHROMBOTIC, ANTIAGGREGANT, CYTOPROTECTIVE BOEHRINGER BIOCHEMIA ROBIN, S.P.A. (IT) 1987-09-08 US disclosed