SCHEMBL6000159

SCHEMBL6000159

CCN(CC)c1ccc(NC(=O)c2cccc(Cn3ccc4c(C(N)=O)cccc43)c2)c(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.40
SLC34A2 O95436 1/20 0.39
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
LMNA P02545 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP1A2 P05177 2/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BDKRB1 P46663 3/20 0.37
CNR1 P21554 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
SCHEMBL16355236 0.89 SLC34A2 (0.48) CFDSLC34A2TAS1R3TAS1R1LMNA
SCHEMBL16804647 0.89 SLC34A2 (0.48) CFDSLC34A2TAS1R3TAS1R1LMNA
SCHEMBL18471348 0.88 SLC34A2 (0.49) CFDSLC34A2TAS1R3TAS1R1LMNA
SCHEMBL46853 0.88 BDKRB1 (0.41) CFDTAS1R3TAS1R1LMNATAS1R2
SCHEMBL19596356 0.87 SLC34A2 (0.46) SLC34A2LMNACYP1A2SMN1; SMN2CYP2C19
SCHEMBL18482341 0.86 SLC34A2 (0.41) CFDSLC34A2TAS1R3TAS1R1LMNA
SCHEMBL5998996 0.84 TAS1R3 (0.47) CFDSLC34A2TAS1R3TAS1R1LMNA
SCHEMBL15432767 0.84 TAS1R3 (0.47) CFDSLC34A2TAS1R3TAS1R1LMNA
SCHEMBL6000130 0.84 TAS1R3 (0.47) CFDSLC34A2TAS1R3TAS1R1LMNA
SCHEMBL40772 0.83 TAS1R3 (0.50) CFDTAS1R3TAS1R1LMNATAS1R2

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 disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed