SCHEMBL8944453

SCHEMBL8944453

CCCN(Cc1ccc(-c2ccccc2C(=N)NO)cc1)c1nc2ccccc2cc1C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 18/20 0.46
AGTR2 P50052 18/20 0.46
LTB4R2 Q9NPC1 1/20 0.40

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
SCHEMBL6609059 0.86 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL8944162 0.84 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL6608915 0.83 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL6607280 0.81 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL8944455 0.80 AGTR1 (0.43) AGTR1AGTR2LTB4R2
SCHEMBL6604855 0.79 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL6608525 0.79 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8944447 0.79 AGTR1 (0.36) AGTR1AGTR2LTB4R2
SCHEMBL6608757 0.78 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL9542915 0.77 AGT (0.46) 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
US-5500427-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-19 US disclosed