SCHEMBL3841095

SCHEMBL3841095

CCCc1nc(C(=O)OCc2oc(=O)oc2C)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 11/20 0.58
AGTR1 P30556 10/20 0.58
ABCC3 O15438 1/20 0.58
ABCC4 O15439 1/20 0.58
ABCB11 O95342 1/20 0.58
CYP3A4 P08684 1/20 0.58
PDE4D Q08499 1/20 0.58
PDE3A Q14432 1/20 0.58
SLCO1B3 Q9NPD5 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
SLCO1B1 Q9Y6L6 1/20 0.58

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
SCHEMBL669265 0.94 AGTR2 (0.52) AGTR2AGTR1ABCC3ABCC4ABCB11
SCHEMBL7907459 0.90 AGTR2 (0.47) AGTR2AGTR1ABCC3ABCC4ABCB11
SCHEMBL3845228 0.90 AGTR2 (0.57) AGTR2AGTR1ABCC3ABCC4ABCB11
SCHEMBL1758123 0.90 AGTR2 (0.64) AGTR2AGTR1ABCC3ABCC4ABCB11
SCHEMBL669266 0.89 AGTR2 (0.66) AGTR2AGTR1ABCC3ABCC4ABCB11
SCHEMBL102109 0.89 AGTR2 (0.62) AGTR2AGTR1ABCC3ABCC4ABCB11
SCHEMBL7907742 0.86 AGTR2 (0.53) AGTR2AGTR1ABCC3ABCC4ABCB11
SCHEMBL3847580 0.86 AGTR2 (0.59) AGTR2AGTR1ABCC3ABCC4ABCB11
SCHEMBL15132375 0.86 AGTR2 (0.72) AGTR2AGTR1ABCC3ABCC4ABCB11
SCHEMBL668023 0.85 AGTR2 (0.61) AGTR2AGTR1ABCC3ABCC4ABCB11

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 1 patent. 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