SCHEMBL8912495

SCHEMBL8912495

CCCCNC(=O)NC1Cc2ccc(C3=NNC(=O)CC3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
MAPT P10636 3/20 0.41
PDE3B Q13370 9/20 0.40
PDE3A Q14432 9/20 0.40
PDE4A P27815 6/20 0.40
PDE4B Q07343 6/20 0.40
PDE4C Q08493 6/20 0.40
PDE4D Q08499 6/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37

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
SCHEMBL8911986 0.94 MAPT (0.42) LMNANPY1RNPY2RMAPTPDE3B
SCHEMBL8911889 0.84 CA12 (0.51) LMNANPY1RNPY2RMAPTPDE3B
SCHEMBL8912023 0.83 CA12 (0.49) LMNANPY1RNPY2RMAPTPDE3B
SCHEMBL8303551 0.82 LMNA (0.48) LMNANPY1RNPY2RMAPTPDE3B
SCHEMBL8912191 0.79 NR1H2 (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8302610 0.78 LMNA (0.46) LMNANPY1RNPY2RMAPTPDE3B
SCHEMBL8306283 0.78 LMNA (0.47) LMNANPY1RNPY2RMAPTPDE3B
SCHEMBL8300078 0.77 MAPT (0.46) LMNANPY1RNPY2RMAPTPDE3B
SCHEMBL8302599 0.77 PDE3B (0.46) LMNANPY1RNPY2RMAPTPDE3B
SCHEMBL8912492 0.77 LMNA (0.44) LMNANPY1RNPY2RMAPTPDE3B

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