SCHEMBL6604852

SCHEMBL6604852

CCOC(=O)c1cc2ccccc2nc1NC(CC)Cc1ccc(-c2ccccc2-c2nc(=O)s[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 8/20 0.36
AGTR1 P30556 8/20 0.36
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FOS P01100 1/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ELANE P08246 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 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
SCHEMBL6607829 0.90 BRS3 (0.36)
SCHEMBL6606955 0.87 AGTR1 (0.51) AGTR2AGTR1ALDH1A1LMNASMN1; SMN2
SCHEMBL8944271 0.86 AGTR2 (0.36) AGTR2AGTR1MEN1ALDH1A1LMNA
SCHEMBL6609722 0.86 HTT (0.41) AGTR2AGTR1
SCHEMBL8551396 0.85 AGTR1 (0.38) AGTR2AGTR1TP53
SCHEMBL8944447 0.81 AGTR1 (0.36) AGTR2AGTR1MEN1KMT2ATP53
SCHEMBL6604855 0.79 AGTR1 (0.43) AGTR2AGTR1
SCHEMBL6608135 0.79 AGTR1 (0.47) AGTR2AGTR1
SCHEMBL6605990 0.77 BRS3 (0.39) AGTR2AGTR1LMNASMN1; SMN2
SCHEMBL8553680 0.77 AGTR1 (0.37) AGTR2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0829479-B1 Heterocyclic compounds and their use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-04-14 EP disclosed
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