SCHEMBL7403136

SCHEMBL7403136

COC(=O)NC1CC(=O)OC1=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
KMT2A Q03164 1/20 0.31
PYGB P11216 1/20 0.30

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
SCHEMBL7403132 1.00 GAA (0.37) GAANFKB1NFKB2RELAKMT2A
SCHEMBL7801965 1.00 GAA (0.37) GAANFKB1NFKB2RELAKMT2A
SCHEMBL1661965 0.84 GAA (0.55) GAANFKB1NFKB2RELA
SCHEMBL8355012 0.84 GAA (0.55) GAANFKB1NFKB2RELA
SCHEMBL1661966 0.84 GAA (0.55) GAANFKB1NFKB2RELA
SCHEMBL4655182 0.81 KDM4E (0.36)
SCHEMBL10873133 0.81 KDM4E (0.36)
SCHEMBL8634789 0.79 CTRB1 (0.35)
SCHEMBL3596240 0.79 CTRB1 (0.35)
SCHEMBL553861 0.79 CTRB1 (0.35)

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-6084130-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2000-07-04 US disclosed
EP-0923542-A1 ARYL SUBSTITUTED CYCLIC AMINES AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1999-06-23 EP disclosed
EP-0579059-B1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1999-05-12 EP disclosed
US-5739132-A ENDOTHOXIN SHOCK; NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 US disclosed
WO-1997045403-A1 ARYL SUBSTITUTED CYCLIC AMINES AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1997-12-04 WO disclosed
EP-0579059-A1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1994-01-19 EP disclosed