SCHEMBL45686

SCHEMBL45686

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.58
TAS1R3 Q7RTX0 4/20 0.56
TAS1R1 Q7RTX1 4/20 0.56
TAS1R2 Q8TE23 3/20 0.56
LMNA P02545 2/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 3/20 0.52
TSHR P16473 2/20 0.52
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
PKM P14618 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL40217 0.85 ALDH1A1 (0.52) CFDTAS1R3TAS1R1TAS1R2LMNA
SCHEMBL40433 0.85 ALDH1A1 (0.52) CFDTAS1R3TAS1R1TAS1R2LMNA
SCHEMBL40121 0.84 TAS1R3 (0.50) CFDTAS1R3TAS1R1TAS1R2LMNA
SCHEMBL40772 0.84 TAS1R3 (0.50) CFDTAS1R3TAS1R1TAS1R2LMNA
SCHEMBL44923 0.83 LMNA (0.49) CFDTAS1R3TAS1R1TAS1R2LMNA
SCHEMBL45239 0.83 POLB (0.54) TAS1R3TAS1R1TAS1R2LMNAKMT2A
SCHEMBL45238 0.83 POLB (0.54) TAS1R3TAS1R1TAS1R2LMNAKMT2A
SCHEMBL16355253 0.82 LMNA (0.60) CFDTAS1R3TAS1R1TAS1R2LMNA
SCHEMBL15432767 0.81 TAS1R3 (0.47) CFDTAS1R3TAS1R1TAS1R2LMNA
SCHEMBL5998996 0.81 TAS1R3 (0.47) CFDTAS1R3TAS1R1TAS1R2LMNA

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-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed