SCHEMBL13475112

SCHEMBL13475112

CCCCc1cc(-c2ccccc2/C(=N/OC=O)NC)ccc1Cn1c(=O)n(CC(=O)c2ccc(OC)cc2)c(=O)c2cc(CC)sc21

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 20/20 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
SCHEMBL2774440 0.84 AGTR1 (0.63) AGTR1
SCHEMBL2777771 0.81 AGTR1 (0.83) AGTR1
SCHEMBL13475106 0.76 AGTR1 (0.70) AGTR1
SCHEMBL2775075 0.75 AGTR1 (0.76) AGTR1
SCHEMBL2773764 0.75 AGTR1 (0.76) AGTR1
SCHEMBL2774300 0.74 AGTR1 (0.76) AGTR1
SCHEMBL13070823 0.72 AGTR1 (0.77) AGTR1
SCHEMBL13311524 0.72 AGTR1 (0.77) AGTR1
SCHEMBL13475111 0.72 AGTR1 (0.55) AGTR1
SCHEMBL2776338 0.72 AGTR1 (0.65) AGTR1

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-2151440-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-02-10 EP disclosed