SCHEMBL3842272

SCHEMBL3842272

CCCCc1nc(C(C)(C)O)c(C(=O)OCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n1CCOC(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.48
AGTR2 P50052 7/20 0.48
ABCC3 O15438 1/20 0.48
ABCC4 O15439 1/20 0.48
ABCB11 O95342 1/20 0.48
CYP3A4 P08684 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3A Q14432 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48

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
SCHEMBL3842432 0.96 AGTR1 (0.52) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL3841024 0.93 AGTR1 (0.45) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL3844498 0.88 AGTR1 (0.49) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL668712 0.87 AGTR1 (0.54) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL683727 0.86 AGTR1 (0.58) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL668713 0.84 AGTR1 (0.49) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL668336 0.83 AGTR1 (0.57) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL668491 0.83 AGTR1 (0.51) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL986792 0.82 AGTR1 (0.62) AGTR1AGTR2ABCC3ABCC4ABCB11
Hydrochloric Acid SCHEMBL7305266 0.82 AGTR1 (0.62) 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-2136788-A1 CANCER CELL TARGETING USING NANOPARTICLES Bind Biosciences, Inc. (US) 2009-12-30 EP disclosed
WO-2008121949-A1 CANCER CELL TARGETING USING NANOPARTICLES BIND BIOSCIENCES, INC. (US) 2008-10-09 WO disclosed