SCHEMBL8845352

SCHEMBL8845352

CC(C)(O)c1nc(CO)n(Cc2ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.55
AGTR2 P50052 4/20 0.55
AGT P01019 2/20 0.43
ABCC3 O15438 1/20 0.42
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP3A4 P08684 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3A Q14432 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42

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
SCHEMBL7303800 0.94 AGTR1 (0.56) AGTR1AGTR2AGTABCC3ABCC4
SCHEMBL1308518 0.93 AGTR1 (0.65) AGTR1AGTR2ABCC3ABCC4ABCB11
Water SCHEMBL2576557 0.92 AGTR1 (0.64) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL27353029 0.92 AGTR1 (0.52) AGTR1AGTR2AGTABCC3ABCC4
SCHEMBL27365761 0.92 AGTR1 (0.52) AGTR1AGTR2AGTABCC3ABCC4
SCHEMBL7308711 0.91 AGTR1 (0.59) AGTR1AGTR2AGT
SCHEMBL7886503 0.91 AGTR1 (0.51) AGTR1AGTR2AGTABCC3ABCC4
SCHEMBL7301890 0.86 AGTR1 (0.51) AGTR1AGTR2AGTABCC3ABCC4
Lithium Ion SCHEMBL3342418 0.85 AGTR1 (0.60) AGTR1AGTR2AGTABCC3ABCC4
Potassium Ion SCHEMBL1975309 0.85 AGTR1 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1051766-C Angiotensin II antagonist imidazole derivatives, their preparation and their theapeutic use SANKYO CO (JP) 2000-04-26 CN disclosed
US-5646171-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1997-07-08 US disclosed