SCHEMBL8545341

SCHEMBL8545341

COC(=O)CCn1cc(Cc2cccnc2)c2c(CCNS(=O)(=O)N(C)C)cccc21

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.50
NR1D1 P20393 10/20 0.45
TRPM5 Q9NZQ8 1/20 0.40
LTA4H P09960 1/20 0.39

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
SCHEMBL8541086 0.92 TBXAS1 (0.58) TBXAS1NR1D1
SCHEMBL8544727 0.86 TBXAS1 (0.52) TBXAS1
SCHEMBL8541177 0.85 TBXAS1 (0.54) TBXAS1NR1D1LTA4H
SCHEMBL8541450 0.83 TRPM5 (0.41) TBXAS1TRPM5LTA4H
SCHEMBL8544695 0.81 TRPM5 (0.40) TBXAS1TRPM5LTA4H
SCHEMBL8585361 0.81 TBXAS1 (0.51) TBXAS1NR1D1LTA4H
SCHEMBL8542535 0.78 TBXAS1 (0.60) TBXAS1NR1D1
SCHEMBL8542531 0.77 TBXAS1 (0.50) TBXAS1NR1D1LTA4H
SCHEMBL8538814 0.76 TBXAS1 (0.63) TBXAS1
SCHEMBL8541869 0.76 TBXAS1 (0.62) TBXAS1NR1D1

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-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP claimed