SCHEMBL3842278

SCHEMBL3842278

CCCc1nc(C(=O)OCOC(=O)OC(C)C)c(C(C)(C)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.44
AGTR2 P50052 10/20 0.44
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
SCHEMBL3849928 0.96 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL3848685 0.92 AGTR1 (0.49) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7883547 0.91 AGTR1 (0.38) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7428535 0.90 AGTR1 (0.46) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL668740 0.89 AGTR1 (0.55) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL668741 0.89 AGTR1 (0.44) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7887910 0.88 AGTR1 (0.36) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL3842922 0.88 AGTR2 (0.55) AGTR1AGTR2
SCHEMBL7438005 0.85 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL668511 0.85 AGTR1 (0.51) AGTR1AGTR2ABCC3ABCC4ABCB11

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
EP-1884240-B1 PHARMACEUTICAL FOR PREVENTION OR TREATMENT OF BONE METABOLIC DISEASE DAIICHI SANKYO CO LTD (JP) 2009-11-11 EP claimed
EP-0503785-B1 1-Biphenylimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-04-25 EP claimed