SCHEMBL8807339

SCHEMBL8807339

O=C1CCc2cc(N3CCC(O)CC3)ccc2N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.52
PDE3B Q13370 2/20 0.52
PDE3A Q14432 2/20 0.52
KCNH2 Q12809 2/20 0.52
NR3C1 P04150 1/20 0.52
PGR P06401 1/20 0.52
CRBN Q96SW2 7/20 0.50
TBXAS1 P24557 1/20 0.50
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
HTR1A P08908 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
SMYD3 Q9H7B4 1/20 0.43
KIF11 P52732 1/20 0.42
NPC1 O15118 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
Hydrochloric Acid SCHEMBL7286588 0.85 SMYD3 (0.50) SLC6A4PDE3BPDE3AKCNH2NR3C1
SCHEMBL8805370 0.81 SLC6A4 (0.53) SLC6A4PDE3BPDE3AKCNH2NR3C1
SCHEMBL7274510 0.81 CRBN (0.53) SLC6A4PDE3BPDE3AKCNH2NR3C1
Hydrochloric Acid SCHEMBL7287777 0.81 CRBN (0.48) SLC6A4PDE3BPDE3AKCNH2NR3C1
SCHEMBL7295942 0.80 PDE3B (0.50) SLC6A4PDE3BPDE3AKCNH2NR3C1
Bromide SCHEMBL11199816 0.80 CRBN (0.52) SLC6A4PDE3BPDE3AKCNH2NR3C1
SCHEMBL11196268 0.80 CRBN (0.52) SLC6A4PDE3BPDE3AKCNH2NR3C1
SCHEMBL7295933 0.79 CRBN (0.54) SLC6A4PDE3BPDE3AKCNH2NR3C1
SCHEMBL11194801 0.78 SLC6A4 (0.64) SLC6A4PDE3BPDE3AKCNH2NR3C1
SCHEMBL7269908 0.76 SLC6A4 (0.78) SLC6A4PDE3BPDE3AKCNH2NR3C1

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
EP-0583136-B1 Piperidino-3,4-dihydrocarbostyryl compounds for the treatment of ischemic disorders KISSEI PHARMACEUTICAL (JP) 1997-10-08 EP disclosed
US-5294718-A Platelet aggregation inhibitors; antiischemic agents; side effect reduction KISSEI PHARMACEUTICAL CO., LTD. (JP) 1994-03-15 US disclosed
EP-0583136-A2 Piperidino-3,4-dihydrocarbostyryl compounds for the treatment of ischemic disorders Kissei Pharmaceutical Co., Ltd. (JP) 1994-02-16 EP disclosed