SCHEMBL8912358

SCHEMBL8912358

CCCNC(=S)NCCC1Cc2ccc(-c3ccc(=O)[nH]n3)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.38
PDE3A Q14432 4/20 0.38
MAPT P10636 1/20 0.38
P2RX7 Q99572 1/20 0.38
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
LMNA P02545 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PRKD1 Q15139 1/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 3/20 0.33
SLC6A4 P31645 2/20 0.33
CYP1A2 P05177 2/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 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
SCHEMBL8912751 0.87 PDE3B (0.39) PDE3BPDE3AMAPTP2RX7PDE4A
SCHEMBL8292411 0.86 PDE3B (0.42) PDE3BPDE3AMAPTP2RX7PDE4A
Bromide SCHEMBL8298175 0.85 PDE3B (0.41) PDE3BPDE3AMAPTP2RX7PDE4A
SCHEMBL8296106 0.83 PDE3B (0.43) PDE3BPDE3AMAPTP2RX7PDE4A
Bromide SCHEMBL8291044 0.82 PDE3B (0.42) PDE3BPDE3AMAPTP2RX7PDE4A
SCHEMBL8911348 0.81 PDE3B (0.39) PDE3BPDE3AMAPTP2RX7PDE4A
SCHEMBL8292050 0.81 PDE3B (0.43) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL8291586 0.80 PDE3B (0.41) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL8911327 0.79 P2RX7 (0.39) PDE3BPDE3AP2RX7PDE4APDE4B
SCHEMBL8302588 0.79 PDE3B (0.44) PDE3BPDE3AMAPTPDE4APDE4B

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 disclosed
US-5543409-A Indane derivatives for treating endotoxin shock and/or nephritis TANABE SEIYAKU CO., LTD. (JP) 1996-08-06 US disclosed
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 disclosed