SCHEMBL8911600

SCHEMBL8911600

CCCC(=O)NC1Cc2ccc(-c3ccc(=O)[nH]n3)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA7 P43166 4/20 0.52
CA9 Q16790 4/20 0.52
CA14 Q9ULX7 4/20 0.52
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
MAPT P10636 2/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
GSK3B P49841 2/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM5A P29375 1/20 0.38

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
SCHEMBL8912821 0.85 PDE3B (0.40) CA12CA1CA2CA7CA9
SCHEMBL8912025 0.84 PDE4A (0.40) CA12CA1CA2CA7CA9
SCHEMBL8302588 0.84 PDE3B (0.44) MAPTPDE3BPDE3APDE4APDE4B
Bromide SCHEMBL9235635 0.83 PDE3B (0.43) MAPTPDE3BPDE3APDE4APDE4B
SCHEMBL8912751 0.82 PDE3B (0.39) CA12CA1CA2CA7CA9
SCHEMBL8912452 0.80 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8307491 0.79 GRIA2 (0.45) MAPTPDE3BPDE3APDE4APDE4B
SCHEMBL8912517 0.78 PDE4A (0.40) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8911880 0.78 PDE3B (0.39) MAPTPDE3BPDE3AGSK3BPDE4A
SCHEMBL8296106 0.78 PDE3B (0.43) MAPTPDE3BPDE3APDE4APDE4B

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 6 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
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