SCHEMBL6557990

SCHEMBL6557990

CCOc1cccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)c1OC(=O)CC

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.45
HTR7 P34969 3/20 0.44
HSD17B10 Q99714 1/20 0.41
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL6557887 0.87 HTR7 (0.51) HTR7HSD17B10PDE10A
SCHEMBL6555790 0.86 MEN1 (0.52) ACHEHTR7HSD17B10PDE10A
SCHEMBL6557412 0.84 PDE10A (0.57) HTR7PDE10A
SCHEMBL6555842 0.80 TSHR (0.52) HTR7HSD17B10
SCHEMBL6555584 0.79 PDE4A (0.50) HSD17B10
SCHEMBL6555791 0.76 PPARA (0.49)
SCHEMBL6557882 0.75 KDM4E (0.44)
SCHEMBL6557586 0.74 KDM4E (0.52) HSD17B10PDE10A
SCHEMBL6557988 0.74 L3MBTL1 (0.51) HSD17B10
SCHEMBL6556016 0.74 L3MBTL1 (0.51) HSD17B10PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073643-B1 NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2004-12-29 EP disclosed