SCHEMBL7878439

SCHEMBL7878439

CCn1c(SC)nc(C(=O)OCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c1C(C)(C)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.40
AGTR2 P50052 11/20 0.40
ABCC3 O15438 1/20 0.35
ABCC4 O15439 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP3A4 P08684 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3A Q14432 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35

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
SCHEMBL7886545 0.93 AGTR1 (0.38) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7885234 0.89 AGTR1 (0.41) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7308364 0.88 AGTR1 (0.43) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7886348 0.88 AGTR1 (0.41) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL5366890 0.87 AGTR1 (0.49) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7887641 0.86 AGTR1 (0.40) AGTR1AGTR2ABCC3ABCC4ABCB11
Hydrochloric Acid SCHEMBL7305271 0.86 AGTR1 (0.48) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7885233 0.84 AGTR1 (0.36) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7889443 0.84 AGTR1 (0.36) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7878516 0.82 AGTR1 (0.42) 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-0573218-B1 4-Carboxyimidazoles as angiotensin II antagonists and their thrapeutic use SANKYO CO (JP) 2001-03-07 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-0573218-A2 4-Carboxyimidazoles as angiotensin II antagonists and their thrapeutic use SANKYO COMPANY LIMITED (JP) 1993-12-08 EP disclosed