SCHEMBL9403786

SCHEMBL9403786

COc1ccc(C(=O)N2CCN(c3ccc4[nH]c(=O)c(O)c(O)c4c3)CC2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.58
PDE3A Q14432 2/20 0.58
NR3C1 P04150 1/20 0.57
PGR P06401 1/20 0.57
SLC6A4 P31645 1/20 0.57
KCNH2 Q12809 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 4/20 0.57
GAA P10253 3/20 0.57
HTT P42858 2/20 0.57
POLB P06746 4/20 0.52
MAPT P10636 3/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ATM Q13315 1/20 0.51
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
NAMPT P43490 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL7034123 0.87 PDE3B (0.66) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL8500022 0.80 PDE3B (0.65) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL11206168 0.75 LMNA (0.74) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL10590870 0.74 PDE3B (0.74) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL9412183 0.73 POLB (0.58) PDE3BPDE3ASMN1; SMN2LMNAGAA
SCHEMBL9824612 0.73 PDE3B (0.83) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL9412162 0.73 LMNA (0.56) PDE3BPDE3ASMN1; SMN2LMNAGAA
SCHEMBL9693701 0.73 PDE3B (1.00) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL16276101 0.73 LMNA (0.64) PDE3BPDE3ANR3C1PGRSLC6A4
Vesnarinone SCHEMBL6243858 0.73 PDE3B (1.00) PDE3BPDE3ANR3C1PGRSLC6A4

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
JP-6179621-A None JP disclosed
JP-H06179621-A ANTICANCER AGENT OTSUKA PHARMACEUT CO LTD 1994-06-28 JP disclosed