SCHEMBL7439499

SCHEMBL7439499

COc1ccc2c(c1)CNC(=O)CC2

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.54
PDE3A Q14432 1/20 0.54
METAP1 P53582 2/20 0.45
BCL2 P10415 1/20 0.45
DRD1 P21728 4/20 0.44
DRD5 P21918 4/20 0.44
GAA P10253 1/20 0.44
DRD2 P14416 4/20 0.44
DRD3 P35462 4/20 0.44
CYP19A1 P11511 2/20 0.44
MAOB P27338 2/20 0.43
SRD5A1 P18405 1/20 0.43
MAOA P21397 1/20 0.42
DRD4 P21917 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MIF P14174 1/20 0.42

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
SCHEMBL5046308 0.93 PDE3B (0.54) PDE3BPDE3AMETAP1BCL2DRD1
SCHEMBL13506283 0.81 PDE3B (0.55) PDE3BPDE3AMETAP1DRD1DRD5
SCHEMBL12079387 0.80 PDE3B (0.61) PDE3BPDE3AMETAP1BCL2GAA
SCHEMBL2607471 0.78 DRD1 (0.62) METAP1BCL2DRD1DRD5DRD2
SCHEMBL7443640 0.77 DRD2 (0.44) DRD2DRD3DRD4
SCHEMBL2062199 0.77 DRD1 (0.54) METAP1BCL2DRD1DRD5DRD2
SCHEMBL30468429 0.75 GAA (0.50) PDE3BPDE3AMETAP1DRD1DRD5
SCHEMBL227544 0.75 GAA (0.50) PDE3BPDE3AMETAP1DRD1DRD5
SCHEMBL29724095 0.75 MAOB (0.58) PDE3BPDE3AMAOBMAOA
SCHEMBL703728 0.75 MAOB (0.58) PDE3BPDE3AMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed