SCHEMBL44923

SCHEMBL44923

CCN(CC)c1cc(-c2cc(C(=O)NC3CCCc4ccccc43)ccn2)ccc1NC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
CFD P00746 2/20 0.49
HTT P42858 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TAS1R3 Q7RTX0 4/20 0.47
TAS1R1 Q7RTX1 4/20 0.47
TAS1R2 Q8TE23 3/20 0.47
PRSS12 P56730 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 4/20 0.45
TSHR P16473 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL40121 0.87 TAS1R3 (0.50) LMNACFDHTTKMT2AMEN1
SCHEMBL40772 0.87 TAS1R3 (0.50) LMNACFDHTTKMT2AMEN1
SCHEMBL45686 0.83 CFD (0.58) LMNACFDHTTKMT2AMEN1
SCHEMBL16355253 0.81 LMNA (0.60) LMNACFDHTTKMT2AMEN1
SCHEMBL5998996 0.80 TAS1R3 (0.47) LMNACFDHTTKMT2AMEN1
SCHEMBL15432767 0.80 TAS1R3 (0.47) LMNACFDHTTKMT2AMEN1
SCHEMBL6000130 0.79 TAS1R3 (0.47) LMNACFDHTTKMT2AMEN1
SCHEMBL6000345 0.79 ALDH1A1 (0.46) LMNACFDHTTKMT2AMEN1
SCHEMBL44981 0.79 ALDH1A1 (0.46) LMNACFDHTTKMT2AMEN1
SCHEMBL40208 0.78 KMT2A (0.46) LMNACFDHTTKMT2AMEN1

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