SCHEMBL9845839

SCHEMBL9845839

CCCCc1nc2ccc(C(=O)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.58
AGTR2 P50052 1/20 0.58

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
SCHEMBL9197073 0.90 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9192880 0.89 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9845667 0.88 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL9845754 0.88 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL9160015 0.88
SCHEMBL9160007 0.88
SCHEMBL9402007 0.88
SCHEMBL9845666 0.87 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL9379473 0.87
SCHEMBL9401988 0.86

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-0445811-A2 Nitrogen-containing heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-09-11 EP claimed