SCHEMBL8911348

SCHEMBL8911348

C=CC(=O)NCCC1Cc2ccc(-c3ccc(=O)[nH]n3)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.39
PDE3A Q14432 4/20 0.39
P2RX7 Q99572 1/20 0.38
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
LMNA P02545 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
HRH3 Q9Y5N1 3/20 0.33
CYP1A2 P05177 2/20 0.33
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33
RET P07949 1/20 0.33
PDGFRB P09619 1/20 0.33
CDK8 P49336 1/20 0.33

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
SCHEMBL8912661 0.94 PDE3B (0.38) PDE3BPDE3AP2RX7PDE4APDE4B
SCHEMBL8914142 0.93 PDE3B (0.37) PDE3BPDE3AP2RX7PDE4APDE4B
SCHEMBL8911327 0.82 P2RX7 (0.39) PDE3BPDE3AP2RX7PDE4APDE4B
SCHEMBL8912452 0.82 PDE3B (0.43) PDE3BPDE3AP2RX7PDE4APDE4B
SCHEMBL8300268 0.82 PDE3B (0.39) PDE3BPDE3AP2RX7PDE4APDE4B
SCHEMBL8912358 0.81 PDE3B (0.38) PDE3BPDE3AP2RX7PDE4APDE4B
SCHEMBL8912491 0.79 HDAC3 (0.40) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL8292411 0.79 PDE3B (0.42) PDE3BPDE3AP2RX7PDE4APDE4B
SCHEMBL8914447 0.79 P2RX7 (0.38) PDE3BPDE3AP2RX7PDE4APDE4B
SCHEMBL8298502 0.78 PDE3B (0.38) PDE3BPDE3AP2RX7PDE4APDE4B

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-5605901-A THERAPY FOR GRAM-NEGATIVE BACTERIA, NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1997-02-25 US claimed
US-5543409-A Indane derivatives for treating endotoxin shock and/or nephritis TANABE SEIYAKU CO., LTD. (JP) 1996-08-06 US claimed
EP-0661274-A1 Indane derivatives, processes for preparing the same and synthetic intermediate of the same TANABE SEIYAKU CO., LTD. (JP) 1995-07-05 EP claimed