SCHEMBL6607228

SCHEMBL6607228

CCCCn1oc(=O)nc1-c1ccccc1-c1ccc(CNc2ncncc2C(=O)OCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.61
AGTR2 P50052 10/20 0.61
MAPT P10636 2/20 0.41
HSD17B10 Q99714 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
PPP1CA P62136 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6605088 0.91 AGTR1 (0.55) AGTR1AGTR2MAPTHSD17B10ALDH1A1
SCHEMBL6607576 0.90 AGTR1 (0.47) AGTR1AGTR2MAPTHSD17B10ALDH1A1
SCHEMBL6606486 0.84 BDKRB1 (0.48) AGTR1AGTR2MAPTNPSR1HTT
SCHEMBL9592562 0.78 AGTR1 (0.74) AGTR1AGTR2MAPTHSD17B10NPSR1
SCHEMBL8944112 0.77 AGTR1 (0.62) AGTR1AGTR2MAPTHSD17B10NPSR1
SCHEMBL6609133 0.76 AGTR1 (0.58) AGTR1AGTR2HSD17B10ALDH1A1ALOX15
SCHEMBL9589254 0.75 AGTR1 (0.64) AGTR1AGTR2MAPTHSD17B10NPSR1
SCHEMBL9590363 0.75 AGTR1 (0.68) AGTR1AGTR2MAPTHSD17B10NPSR1
SCHEMBL8556846 0.74 AGTR1 (0.50) AGTR1AGTR2HSD17B10CYP1A2CYP3A4
SCHEMBL18070888 0.72 AGTR1 (0.61) AGTR1AGTR2MAPTHSD17B10NPSR1

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