SCHEMBL6606053

SCHEMBL6606053

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.50
AGTR2 P50052 8/20 0.50
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
PPP1CA P62136 1/20 0.36
FOS P01100 1/20 0.35
JUN P05412 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MAP4K3 Q8IVH8 1/20 0.34
MAP4K1 Q92918 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
RAB9A P51151 1/20 0.34
MME P08473 1/20 0.34

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
SCHEMBL6610731 0.91 AGTR2 (0.51) AGTR1AGTR2NPSR1ALDH1A1LMNA
SCHEMBL6607508 0.91 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL6606955 0.83 AGTR1 (0.51) AGTR1AGTR2NPSR1ALDH1A1LMNA
SCHEMBL6606968 0.82 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL8944331 0.80 AGTR1 (0.51) AGTR1AGTR2NPSR1ALDH1A1LMNA
SCHEMBL6607743 0.79 HTT (0.41) AGTR1AGTR2
SCHEMBL8944271 0.78 AGTR2 (0.36) AGTR1AGTR2NPSR1ALDH1A1LMNA
SCHEMBL6606055 0.77 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL6605204 0.77 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL8548644 0.75 ALDH1A1 (0.36) AGTR1AGTR2NPSR1ALDH1A1LMNA

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