SCHEMBL2132264

SCHEMBL2132264

Cc1oc(=O)oc1COC(=O)c1cccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nc(=O)o[nH]4)cc3)c12

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 4/20 0.63
AGTR1 P30556 3/20 0.43
ABCC3 O15438 1/20 0.43
ABCC4 O15439 1/20 0.43
ABCB11 O95342 1/20 0.43
CYP3A4 P08684 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3A Q14432 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43

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
SCHEMBL683371 0.90 AGTR2 (0.78) AGTR2AGTR1
SCHEMBL2927273 0.89 AGTR2 (0.77) AGTR2AGTR1
Potassium SCHEMBL3033376 0.89 AGTR2 (0.77) AGTR2AGTR1
Azilsartan Medoxomil SCHEMBL2129551 0.88 AGTR2 (0.81) AGTR2AGTR1ABCC3ABCC4ABCB11
SCHEMBL7011057 0.86 AGTR1 (0.46) AGTR2AGTR1
SCHEMBL10298805 0.86 AGTR2 (0.57) AGTR2AGTR1ABCC3ABCC4ABCB11
Potassium Ion SCHEMBL2927275 0.85 AGTR2 (0.58) AGTR2AGTR1ABCC3ABCC4ABCB11
Potassium Ion SCHEMBL2926518 0.84 AGTR2 (0.57) AGTR2AGTR1ABCC3ABCC4ABCB11
SCHEMBL2844345 0.83 AGTR1 (0.48) AGTR2AGTR1
SCHEMBL5548451 0.83 AGTR2 (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2068812-B9 MEDICINAL PACKAGE TAKEDA PHARMACEUTICAL (JP) 2012-08-08 EP disclosed
US-20120100093-A1 MEDICINAL PACKAGE TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-04-26 US disclosed
US-20090308780-A1 Medicinal package TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-12-17 US disclosed