SCHEMBL2410

SCHEMBL2410

CCCC(=O)CC(C)(NCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.35
TNKS2 Q9H2K2 2/20 0.35
AGTR1 P30556 12/20 0.35
AGTR2 P50052 12/20 0.35
LTB4R2 Q9NPC1 1/20 0.34
GSK3B P49841 1/20 0.33

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
SCHEMBL8477454 0.89 PDCD1 (0.36) AGTR1AGTR2LTB4R2
SCHEMBL8472443 0.86 LTB4R2 (0.37) AGTR1AGTR2LTB4R2
SCHEMBL8472867 0.84 LTB4R2 (0.40) AGTR1AGTR2LTB4R2
SCHEMBL3512 0.79 LTB4R2 (0.39) AGTR1AGTR2LTB4R2
SCHEMBL6961466 0.77 TNKS (0.54) TNKSTNKS2
SCHEMBL6080556 0.76 AGTR1 (0.38) TNKSTNKS2AGTR1AGTR2
SCHEMBL9709552 0.74 IAPP (0.40) AGTR1AGTR2LTB4R2
SCHEMBL1886315 0.74 TRPM8 (0.39) TNKSTNKS2AGTR1
SCHEMBL6080549 0.74 CCR6 (0.42) TNKSTNKS2
SCHEMBL2819270 0.74 TRPM8 (0.39) TNKSTNKS2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed