SCHEMBL8911950

SCHEMBL8911950

Nc1ncccc1C(CC1Cc2ccc(-c3ccc(=O)[nH]n3)cc2C1)NC=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.35
PDE3A Q14432 4/20 0.35
GRIA2 P42262 4/20 0.33
CYP2C19 P33261 2/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
PDE4A P27815 3/20 0.31
PDE4B Q07343 3/20 0.31
PDE4C Q08493 3/20 0.31
PDE4D Q08499 3/20 0.31
CYP1A2 P05177 3/20 0.31
LMNA P02545 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TP53 P04637 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL8911947 0.74 P2RX7 (0.40) PDE3BPDE3ASLC6A2SLC6A4SLC6A3
SCHEMBL8911980 0.72 PDE3B (0.46) PDE3BPDE3ACYP2C19SLC6A2SLC6A4
Bromide SCHEMBL8300806 0.71 PDE3B (0.45) PDE3BPDE3ACYP2C19SLC6A2SLC6A4
Bromide SCHEMBL8300626 0.69 PDE3B (0.43) PDE3BPDE3ACYP2C19SLC6A2SLC6A4
SCHEMBL8911337 0.69 PDE3B (0.35) PDE3BPDE3ACYP2C19SLC6A2SLC6A4
SCHEMBL8307668 0.68 PDE3B (0.49) PDE3BPDE3ACYP2C19SLC6A2SLC6A4
SCHEMBL8296106 0.68 PDE3B (0.43) PDE3BPDE3AGRIA2CYP2C19SLC6A2
SCHEMBL8291725 0.67 PDE3B (0.41) PDE3BPDE3ACYP2C19SLC6A2SLC6A4
Bromide SCHEMBL8307460 0.67 PDE3B (0.48) PDE3BPDE3ACYP2C19SLC6A2SLC6A4
Bromide SCHEMBL8291044 0.67 PDE3B (0.42) PDE3BPDE3AGRIA2CYP2C19SLC6A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5605901-A THERAPY FOR GRAM-NEGATIVE BACTERIA, NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1997-02-25 US claimed