SCHEMBL8944458

SCHEMBL8944458

CCCC(=O)N(CCC)c1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1-c1nn(C)cc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 6/20 0.37
AGTR1 P30556 2/20 0.36
AGTR2 P50052 1/20 0.36
TP53 P04637 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8548489 0.79 LTB4R2 (0.49) LTB4R2AGTR1AGTR2
SCHEMBL8548764 0.74 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL8551839 0.72 LTB4R2 (0.42) LTB4R2AGTR1AGTR2
SCHEMBL8549165 0.70 LTB4R2 (0.48) LTB4R2AGTR1
SCHEMBL6605207 0.68 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL8552550 0.67 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL8548756 0.67 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8944180 0.66 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8549173 0.66 LTB4R2 (0.53) LTB4R2AGTR1
SCHEMBL8553682 0.65 LTB4R2 (0.49) LTB4R2AGTR1AGTR2

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