SCHEMBL8921177

SCHEMBL8921177

COc1cccc(OCCN(C)C2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.48
PDE3A Q14432 2/20 0.48
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
KCNH2 Q12809 2/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
SLC6A4 P31645 1/20 0.47
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CRBN Q96SW2 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD11B1 P28845 1/20 0.41
MGLL Q99685 1/20 0.41
HTR1A P08908 2/20 0.41
ROCK2 O75116 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
SCHEMBL8920578 0.92 PDE3B (0.49) PDE3BPDE3ADRD2KCNH2NR3C1
Hydrochloric Acid SCHEMBL7294149 0.91 PDE3B (0.48) PDE3BPDE3ADRD2KCNH2NR3C1
Hydrochloric Acid SCHEMBL8920934 0.82 CRBN (0.45) PDE3BPDE3ADRD2KCNH2NR3C1
SCHEMBL8922923 0.80 CRBN (0.48) PDE3BPDE3AKCNH2NR3C1PGR
Hydrochloric Acid SCHEMBL8919117 0.79 CRBN (0.46) PDE3BPDE3ADRD3KCNH2NR3C1
SCHEMBL8919197 0.79 CRBN (0.47) PDE3BPDE3AKCNH2NR3C1PGR
SCHEMBL7286684 0.78 CRBN (0.50) PDE3BPDE3AKCNH2NR3C1PGR
SCHEMBL11042441 0.75 NR3C1 (0.66) PDE3BPDE3ADRD2DRD3KCNH2
Hydrochloric Acid SCHEMBL11042650 0.75 DRD3 (0.66) PDE3BPDE3ADRD2DRD3KCNH2
SCHEMBL11044734 0.73 KCNA5 (0.63) DRD2DRD3ALDH1A1CRBN

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-5591751-A CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-07 US disclosed
EP-0636128-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed
WO-1994019339-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed