SCHEMBL6606838

SCHEMBL6606838

CCCN(Cc1ccc(-c2ccccc2C#N)cc1)c1nn(C)cc1C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 15/20 0.53
AGTR2 P50052 14/20 0.53
MAP2K1 Q02750 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL8553595 0.87 LTB4R2 (0.45) AGTR1AGTR2KDM4EALDH1A1LMNA
SCHEMBL6611120 0.83 AGTR1 (0.55) AGTR1AGTR2ALDH1A1
SCHEMBL6608915 0.83 AGTR1 (0.42) AGTR1AGTR2KDM4EALDH1A1LMNA
SCHEMBL8552171 0.83 MAP2K1 (0.40) AGTR1AGTR2MAP2K1KDM4EALDH1A1
SCHEMBL8944162 0.82 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9295593 0.81 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL6605207 0.80 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL6610015 0.80 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL8551398 0.80 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL6606990 0.80 AGTR1 (0.57) 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 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