SCHEMBL9702878

SCHEMBL9702878

O=c1[nH]c2cc3c(cc2[nH]1)ON=CC3

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 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
SCHEMBL4853247 0.59 PDE3B (0.38) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL721458 0.59 GRIN2D (0.50) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL4860712 0.57 GRIN2D (0.38) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL9379542 0.55 KIF11 (0.50) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL4853253 0.55 PDE3B (0.36) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL2894232 0.54 PDE3B (0.50) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL640124 0.54 GRIA1 (0.70) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL20364045 0.54 PDE3B (0.44) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL9703662 0.54 AR (0.52) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL20417283 0.53 GRIN2D (0.46) PDE3BPDE3AGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116843-A Anticoagulants, hypotensive agents and cardiovascular disorder BOEHRINGER MANNHEIM GMBH (DE) 1992-05-26 US disclosed
US-4954498-A HYPOTENSIVE AGENTS, ANTICOAGULANTS, CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1990-09-04 US disclosed