SCHEMBL46853

SCHEMBL46853

NC(=O)c1cccc2c1ccn2Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.41
CFD P00746 2/20 0.40
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
CTSS P25774 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 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
SCHEMBL15432809 0.95 BDKRB1 (0.43) BDKRB1CFDTAOK1TAOK3LMNA
SCHEMBL46854 0.95 BDKRB1 (0.43) BDKRB1CFDTAOK1TAOK3LMNA
SCHEMBL15432810 0.93 BDKRB1 (0.41) BDKRB1CFDTAOK1TAOK3LMNA
SCHEMBL46852 0.93 BDKRB1 (0.41) BDKRB1CFDTAOK1TAOK3LMNA
SCHEMBL16355234 0.89 BDKRB1 (0.39) BDKRB1CFDTAOK1TAOK3LMNA
SCHEMBL19596363 0.89 BDKRB1 (0.39) BDKRB1CFDTAOK1TAOK3LMNA
SCHEMBL15432811 0.88 BDKRB1 (0.38) BDKRB1CFDTAOK1TAOK3LMNA
SCHEMBL16804646 0.88 BDKRB1 (0.38) BDKRB1CFDTAOK1TAOK3LMNA
SCHEMBL6000159 0.88 CFD (0.40) BDKRB1CFDLMNATAS1R3TAS1R1
SCHEMBL16355235 0.86 BDKRB1 (0.35) BDKRB1CFDTAOK1TAOK3LMNA

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 4 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
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed