SCHEMBL4774623

SCHEMBL4774623

CCCc1ncc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2nc(=O)[nH]n12

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.49
AGTR2 P50052 1/20 0.36

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
SCHEMBL9308916 0.85 AGTR1 (0.61) AGTR1
SCHEMBL9309944 0.82 AGTR1 (0.60) AGTR1
SCHEMBL9309293 0.82 AGTR1 (0.59) AGTR1
Ripisartan SCHEMBL489673 0.81 AGTR1 (0.73) AGTR1
SCHEMBL9310969 0.80 AGTR1 (0.57) AGTR1
SCHEMBL9308977 0.78 AGTR1 (0.66) AGTR1
SCHEMBL9309816 0.78 AGTR1 (0.63) AGTR1
SCHEMBL9308067 0.77 AGTR1 (0.57) AGTR1
SCHEMBL6961100 0.73 NPC1 (0.39) AGTR1AGTR2
SCHEMBL4774641 0.73 AGTR1 (0.35) 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