SCHEMBL7283471

SCHEMBL7283471

COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4C(=O)c3ccc(N)cc3)CC2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.60
PDE3A Q14432 2/20 0.60
NR3C1 P04150 1/20 0.60
PGR P06401 1/20 0.60
SLC6A4 P31645 1/20 0.60
KCNH2 Q12809 1/20 0.60
LMNA P02545 2/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 4/20 0.48
KDM4E B2RXH2 2/20 0.48
NAMPT P43490 1/20 0.48
ATM Q13315 1/20 0.47
TP53 P04637 2/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 1/20 0.44
ABCB1 P08183 1/20 0.43

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
SCHEMBL8881974 0.93 PDE3B (0.58) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL7283613 0.92 PDE3B (0.61) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL7285284 0.92 PDE3B (0.61) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL7283459 0.92 PDE3B (0.61) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL8880351 0.89 PDE3B (0.58) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL7290681 0.89 PDE3B (0.60) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL7292245 0.89 PDE3B (0.64) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL10655348 0.88 PDE3B (0.59) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL7291575 0.88 PDE3B (0.56) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL7282655 0.88 PDE3B (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4760064-A Cardiotonic agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-07-26 US claimed
EP-0187322-A1 Carbostyril compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-07-16 EP claimed
US-4760064-A Cardiotonic agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-07-26 US disclosed
EP-0187322-A1 Carbostyril compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-07-16 EP disclosed