SCHEMBL6606955

SCHEMBL6606955

CCOC(=O)c1cnc(C)nc1NC(CC)Cc1ccc(-c2ccccc2-c2nc(=O)s[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.51
AGTR2 P50052 8/20 0.51
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 3/20 0.38
RELA Q04206 3/20 0.38
FOS P01100 2/20 0.38
JUN P05412 2/20 0.38
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
PPP1CA P62136 1/20 0.35
MAP4K3 Q8IVH8 1/20 0.35
MAP4K1 Q92918 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 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
SCHEMBL6608135 0.91 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL6609722 0.88 HTT (0.41) AGTR1AGTR2
SCHEMBL6604852 0.87 AGTR2 (0.36) AGTR1AGTR2NFKB1NFKB2RELA
SCHEMBL8551396 0.86 AGTR1 (0.38) AGTR1AGTR2RAB9ANPC1
SCHEMBL6610731 0.86 AGTR2 (0.51) AGTR1AGTR2NFKB1NFKB2RELA
SCHEMBL6606053 0.83 AGTR1 (0.50) AGTR1AGTR2NFKB1NFKB2RELA
SCHEMBL8944331 0.80 AGTR1 (0.51) AGTR1AGTR2NFKB1NFKB2RELA
SCHEMBL6605990 0.79 BRS3 (0.39) AGTR1AGTR2TSHRLMNASMN1; SMN2
SCHEMBL6607829 0.78 BRS3 (0.36)
SCHEMBL6612732 0.78 BDKRB1 (0.36) AGTR1AGTR2TSHRLMNASMN1; SMN2

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