SCHEMBL8911629

SCHEMBL8911629

CCCC(=O)NCC1Cc2ccc(C3=NNC(=O)CC3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
PDE3B Q13370 10/20 0.41
PDE3A Q14432 9/20 0.41
PDE4A P27815 6/20 0.41
PDE4B Q07343 6/20 0.41
PDE4C Q08493 6/20 0.41
PDE4D Q08499 6/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL8911889 0.85 CA12 (0.51) MAPTLMNANPY1RNPY2RPDE3B
SCHEMBL8300078 0.85 MAPT (0.46) MAPTLMNANPY1RNPY2RPDE3B
SCHEMBL8298942 0.80 TBXA2R (0.44) MAPTLMNANPY1RNPY2RPDE3B
SCHEMBL8912023 0.79 CA12 (0.49) MAPTLMNANPY1RNPY2RPDE3B
SCHEMBL8300953 0.78 MAPT (0.45) MAPTLMNANPY1RNPY2RPDE3B
SCHEMBL8911986 0.78 MAPT (0.42) MAPTLMNANPY1RNPY2RPDE3B
SCHEMBL8912302 0.77 MAPT (0.42) MAPTLMNANPY1RNPY2RPDE3B
SCHEMBL8300849 0.77 PDE3B (0.48) MAPTLMNANPY1RNPY2RPDE3B
SCHEMBL8912821 0.76 PDE3B (0.40) MAPTLMNAPDE3BPDE3APDE4A
SCHEMBL8912495 0.76 LMNA (0.46) MAPTLMNANPY1RNPY2RPDE3B

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