SCHEMBL39963

SCHEMBL39963

CN(CCN1CCCC1C(=O)O)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.42
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
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
BDKRB1 P46663 1/20 0.37
CYP1A2 P05177 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL46806 1.00 CTSS (0.42) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL15432825 1.00 CTSS (0.42) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL10274780 0.99 CTSS (0.42) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL2731126 0.99 CTSS (0.42) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL45529 0.94 CTSS (0.40) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL15432826 0.92 CTSS (0.38) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL18040399 0.92 CTSS (0.38) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL46805 0.92 CTSS (0.38) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL18471351 0.91 CTSS (0.43) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL18482728 0.91 CTSS (0.43) CTSSLMNAPOLBTAOK1TAOK3

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-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP claimed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed