SCHEMBL21142559

SCHEMBL21142559

O=C(NCCCCNC(=O)NCCOCCOCCNC(=O)Nc1cccc(O[C@@H]2CCc3ccccc32)c1)NCCOCCOCCNC(=O)Nc1cccc(O[C@@H]2CCc3ccccc32)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 7/20 0.63
KMT2A Q03164 2/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
GFRA3 O60609 2/20 0.43
GFRA2 O00451 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
HTR2A P28223 2/20 0.41
CCR3 P51677 2/20 0.41
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RET P07949 1/20 0.40
EPHX2 P34913 3/20 0.39
CASR P41180 1/20 0.39

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
SCHEMBL20953608 0.96 SLC9A3 (0.59) SLC9A3KMT2AMAPTALDH1A1MEN1
SCHEMBL21142361 0.77 SLC9A3 (1.00) SLC9A3
SCHEMBL17273574 0.77 SLC9A3 (1.00) SLC9A3
SCHEMBL21142125 0.75 SLC9A3 (0.66) SLC9A3
SCHEMBL21350435 0.74 SLC9A3 (0.92) SLC9A3
SCHEMBL21142253 0.69 SLC9A3 (0.73) SLC9A3
SCHEMBL30099797 0.68 ALDH1A1 (0.65) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL1746652 0.67 GFRA3 (0.63) GFRA3GFRA2RET
SCHEMBL8530467 0.67 IDO1 (0.50) GFRA3GFRA2RET
SCHEMBL15616273 0.67 SLC9A3 (0.83) SLC9A3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2887964-B1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX INC (US) 2019-07-03 EP disclosed