SCHEMBL8551396

SCHEMBL8551396

CCOC(=O)c1cn(C)nc1NC(CC)Cc1ccc(-c2ccccc2-c2nc(=O)s[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.38
AGTR2 P50052 8/20 0.37
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
TP53 P04637 1/20 0.33
P2RX7 Q99572 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
JMJD6 Q6NYC1 1/20 0.33

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
SCHEMBL8553680 0.90 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL6609722 0.86 HTT (0.41) AGTR1AGTR2
SCHEMBL6606955 0.86 AGTR1 (0.51) AGTR1AGTR2NPC1RAB9A
SCHEMBL6604852 0.85 AGTR2 (0.36) AGTR1AGTR2TP53
SCHEMBL8944158 0.79 JMJD6 (0.39) AGTR1AGTR2TP53JMJD6
SCHEMBL6608135 0.78 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL8551369 0.78 LTB4R2 (0.41) AGTR1AGTR2
SCHEMBL6605990 0.78 BRS3 (0.39) AGTR1AGTR2
SCHEMBL6610008 0.77 AGTR1 (0.39) AGTR1AGTR2TP53NPC1RAB9A
SCHEMBL8551398 0.77 AGTR1 (0.53) 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 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