SCHEMBL94599

SCHEMBL94599

CCCc1nc(C(O)CC)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.56
AGTR2 P50052 6/20 0.55

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
SCHEMBL684076 0.92 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL7835576 0.91 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL855 0.88 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL61 0.88 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL7302526 0.87 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL7430067 0.87 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL3841141 0.87 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL6556676 0.87 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL28498803 0.86 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL16239998 0.84 AGTR1 (0.56) AGTR1AGTR2

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-2426127-A1 NOVEL SOLVATE CRYSTALS Daiichi Sankyo Company, Limited (JP) 2012-03-07 EP disclosed