SCHEMBL8548644

SCHEMBL8548644

CCOC(=O)c1cnn(C)c1NC(CC)Cc1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
AGTR2 P50052 7/20 0.36
AGTR1 P30556 6/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 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
SCHEMBL8552543 0.90 AGTR1 (0.38) AGTR2AGTR1
SCHEMBL6605204 0.85 AGTR1 (0.38) AGTR2AGTR1
SCHEMBL6610731 0.83 AGTR2 (0.51) ALDH1A1AGTR2AGTR1RAB9AKDM4E
SCHEMBL6607743 0.83 HTT (0.41) AGTR2AGTR1HTT
SCHEMBL8944271 0.81 AGTR2 (0.36) ALDH1A1AGTR2AGTR1KDM4ENPSR1
SCHEMBL8944450 0.80 LMNA (0.39) ALDH1A1AGTR2AGTR1RAB9AKDM4E
SCHEMBL8548646 0.77 AGTR1 (0.39) ALDH1A1AGTR2AGTR1
SCHEMBL8548756 0.77 AGTR1 (0.37) AGTR2AGTR1
SCHEMBL6606968 0.76 AGTR1 (0.47) AGTR2AGTR1
SCHEMBL6606053 0.75 AGTR1 (0.50) ALDH1A1AGTR2AGTR1RAB9AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588299-B1 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP disclosed
EP-0829479-A1 Heterocyclic compounds and their use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-18 EP disclosed
US-5500427-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-19 US disclosed
EP-0588299-A2 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-23 EP disclosed