SCHEMBL45529

SCHEMBL45529

CN(C)C(=O)C1CCCCN1CCN(C)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.40
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP2D6 P10635 2/20 0.37
HPGD P15428 2/20 0.37
AURKA O14965 1/20 0.37
CYP1A2 P05177 1/20 0.37
PKM P14618 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2731126 0.95 CTSS (0.42) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL10274780 0.95 CTSS (0.42) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL39963 0.94 CTSS (0.42) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL15432825 0.94 CTSS (0.42) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL46806 0.94 CTSS (0.42) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL15432836 0.91 CTSS (0.37) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL15420656 0.91 CTSS (0.37) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL46805 0.90 CTSS (0.38) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL15432826 0.90 CTSS (0.38) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL18040399 0.90 CTSS (0.38) CTSSTAOK1TAOK3LMNAPOLB

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-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed