SCHEMBL8300942

SCHEMBL8300942

CCS(=O)(=O)NCC1Cc2ccc(-c3ccc(=O)[nH]n3)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.44
PDE3A Q14432 4/20 0.44
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
LMNA P02545 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TBXA2R P21731 1/20 0.40
MAPT P10636 1/20 0.39
GRIA2 P42262 5/20 0.39
CYP1A2 P05177 2/20 0.36
TP53 P04637 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL8300364 0.93 TBXA2R (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8292050 0.89 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8291735 0.85 PDE3B (0.40) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8296106 0.83 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
Bromide SCHEMBL8291044 0.82 PDE3B (0.42) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8291586 0.82 PDE3B (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8307491 0.80 GRIA2 (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8912821 0.80 PDE3B (0.40) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8911980 0.78 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8302585 0.78 MAPT (0.46) PDE3BPDE3APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661273-B1 Indane derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1999-05-19 EP claimed
US-5686452-A PROTECTING FROM ENDOTOXIN SHOCK; TREATMENT OF NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1997-11-11 US claimed
EP-0661273-A1 Indane derivative and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1995-07-05 EP claimed
JP-7233152-A None JP disclosed
EP-0661273-B1 Indane derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1999-05-19 EP disclosed
EP-0643705-B1 PROCESS FOR PRODUCING N-beta-g(b)-HYDROXYALKYL-TRI-N-CARBOXYALKYL-1,4,7,10-TETRAAZACYCLODODECANE AND N-beta-g(b)-HYDROXYALKYL-TRI-N-CARBOXYALKYL-1,4,8,11-TETRAAZACYCLOTETRADECANE DERIVATIVES AND THEIR METAL COMPLEXES SCHERING AG (DE) 1999-03-31 EP disclosed
US-5686452-A PROTECTING FROM ENDOTOXIN SHOCK; TREATMENT OF NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1997-11-11 US disclosed
JP-H07233152-A INDANE DERIVATIVE, ITS PRODUCTION AND SYNTHETIC INTERMEDIATE THEREFOR TANABE SEIYAKU CO LTD 1995-09-05 JP disclosed
EP-0661273-A1 Indane derivative and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1995-07-05 EP disclosed