SCHEMBL8880352

SCHEMBL8880352

O=C1CN(c2ccc3c(c2)CCC(=O)N3)CCN1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 7/20 0.53
PDE3B Q13370 4/20 0.53
PDE3A Q14432 4/20 0.53
TBXAS1 P24557 3/20 0.53
SLC6A4 P31645 3/20 0.49
KCNH2 Q12809 2/20 0.49
NR3C1 P04150 1/20 0.49
PGR P06401 1/20 0.49
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KIF11 P52732 2/20 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
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40

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
SCHEMBL7274510 0.84 CRBN (0.53) CRBNPDE3BPDE3ATBXAS1SLC6A4
Bromide SCHEMBL11199816 0.83 CRBN (0.52) CRBNPDE3BPDE3ATBXAS1SLC6A4
SCHEMBL11196268 0.77 CRBN (0.52) CRBNPDE3BPDE3ATBXAS1SLC6A4
SCHEMBL8807339 0.75 SLC6A4 (0.52) CRBNPDE3BPDE3ATBXAS1SLC6A4
Hydrochloric Acid SCHEMBL7286588 0.74 SMYD3 (0.50) CRBNPDE3BPDE3ATBXAS1SLC6A4
SCHEMBL7269908 0.74 SLC6A4 (0.78) CRBNPDE3BPDE3ATBXAS1SLC6A4
SCHEMBL31570658 0.73 MAPT (0.43) LMNAHTT
SCHEMBL11194801 0.73 SLC6A4 (0.64) CRBNPDE3BPDE3ATBXAS1SLC6A4
SCHEMBL11197711 0.73 PDE3B (0.53) CRBNPDE3BPDE3ATBXAS1SLC6A4
SCHEMBL11200462 0.72 SLC6A4 (0.49) CRBNPDE3BPDE3ATBXAS1SLC6A4

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-5691341-A ANTILEUKEMIA AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5464833-A Anticarcinogenic agents, antiretrovirus agents or autoimmune diseases OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-11-07 US disclosed
EP-0623598-A1 APOPTOSIS REGULATOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 EP disclosed