SCHEMBL4774641

SCHEMBL4774641

CCCn1c(=O)nc2c(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)cncn21

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.35

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
SCHEMBL4774623 0.73 AGTR1 (0.49) AGTR1
SCHEMBL9540684 0.72 SLC33A1 (0.39)
SCHEMBL9541039 0.71 SLC33A1 (0.39)
SCHEMBL9848892 0.71 AGTR1 (0.47) AGTR1
SCHEMBL9422505 0.70 AGTR1 (0.47) AGTR1
SCHEMBL9552841 0.70 AGTR1 (0.57) AGTR1
SCHEMBL9553146 0.69 AGTR1 (0.43) AGTR1
SCHEMBL9848931 0.69 AGTR1 (0.45) AGTR1
SCHEMBL9848912 0.69 AGTR1 (0.47) AGTR1
SCHEMBL6961100 0.69 NPC1 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877067-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA Microbia, Inc. (US) 2008-01-16 EP disclosed
WO-2006116499-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA MICROBIA, INC. (US) 2006-11-02 WO disclosed