SCHEMBL8553595

SCHEMBL8553595

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 12/20 0.45
AGTR1 P30556 5/20 0.40
AGTR2 P50052 1/20 0.40
GNRHR P30968 1/20 0.38
FFAR1 O14842 1/20 0.38
AKR1B1 P15121 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6606838 0.87 AGTR1 (0.53) AGTR1AGTR2KDM4EALDH1A1L3MBTL1
SCHEMBL8548779 0.83 LTB4R2 (0.48) LTB4R2AGTR1AGTR2
SCHEMBL8551839 0.80 LTB4R2 (0.42) LTB4R2AGTR1AGTR2
SCHEMBL8551369 0.80 LTB4R2 (0.41) LTB4R2AGTR1AGTR2ALDH1A1
SCHEMBL6606668 0.77 KDM4E (0.55) AGTR1AGTR2KDM4EALDH1A1L3MBTL1
SCHEMBL8551883 0.74 LTB4R2 (0.49) LTB4R2AGTR1FFAR1AKR1B1KDM4E
SCHEMBL8552171 0.74 MAP2K1 (0.40) AGTR1AGTR2KDM4EALDH1A1L3MBTL1
SCHEMBL8875659 0.73 LTB4R2 (0.42) LTB4R2AGTR1AGTR2FFAR1AKR1B1
SCHEMBL8873498 0.72 LTB4R2 (0.41) LTB4R2AGTR1FFAR1AKR1B1ALDH1A1
SCHEMBL6606990 0.72 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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