SCHEMBL7302840

SCHEMBL7302840

CCc1nc(C(=O)OCc2ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c(C(C)(C)O)n1COC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.43
AGTR2 P50052 9/20 0.43
AGT P01019 2/20 0.41
ABCC3 O15438 1/20 0.33
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3A Q14432 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33

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
SCHEMBL7297179 0.94 AGTR1 (0.51) AGTR1AGTR2AGTABCC3ABCC4
SCHEMBL7883586 0.94 AGTR1 (0.42) AGTR1AGTR2AGTABCC3ABCC4
SCHEMBL7887816 0.93 AGTR1 (0.41) AGTR1AGTR2AGTABCC3ABCC4
SCHEMBL7301894 0.92 AGTR1 (0.46) AGTR1AGTR2AGTABCC3ABCC4
SCHEMBL7886507 0.87 AGTR1 (0.46) AGTR1AGTR2AGTABCC3ABCC4
SCHEMBL7908422 0.86 AGTR1 (0.51) AGTR1AGTR2AGT
SCHEMBL1988059 0.86 AGTR1 (0.54) AGTR1AGTR2AGTABCC3ABCC4
SCHEMBL8860950 0.85 AGTR1 (0.51) AGTR1AGTR2AGTABCC3ABCC4
SCHEMBL7878558 0.85 AGTR1 (0.44) AGTR1AGTR2AGTABCC3ABCC4
SCHEMBL7885475 0.85 AGTR1 (0.44) AGTR1AGTR2AGTABCC3ABCC4

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-0503785-B1 1-Biphenylimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-04-25 EP disclosed
US-5646171-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1997-07-08 US disclosed
US-5616599-A HYPOTENSIVE AGENTS FOR CARDIOVASCULAR DISORDER SANKYO COMPANY, LIMITED (JP) 1997-04-01 US disclosed
EP-0503785-A1 1-Biphenylimidazole derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1992-09-16 EP disclosed