SCHEMBL16355247

SCHEMBL16355247

CCN(CC)c1ccc(NC(=O)c2cccc(CCCOCCOCCOCCOCCNC(=O)c3cccc(C)c3)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.68
GPR52 Q9Y2T5 5/20 0.40
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 2/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM1A O60341 1/20 0.35
HDAC1 Q13547 1/20 0.35
GRK2 P25098 1/20 0.35
KCNK3 O14649 1/20 0.35

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
SCHEMBL15444480 0.95 SLC34A2 (0.70) SLC34A2GPR52PSEN1PSEN2APH1B
SCHEMBL10290125 0.95 SLC34A2 (0.70) SLC34A2GPR52PSEN1PSEN2APH1B
SCHEMBL15432903 0.95 SLC34A2 (0.70) SLC34A2GPR52PSEN1PSEN2APH1B
SCHEMBL16365458 0.93 SLC34A2 (0.67) SLC34A2GPR52PSEN1PSEN2APH1B
SCHEMBL16808325 0.93 SLC34A2 (0.79) SLC34A2GPR52PSEN1PSEN2APH1B
SCHEMBL6001902 0.92 SLC34A2 (0.73) SLC34A2GPR52PSEN1PSEN2APH1B
SCHEMBL16355245 0.92 SLC34A2 (0.73) SLC34A2GPR52PSEN1PSEN2APH1B
SCHEMBL6000395 0.92 SLC34A2 (0.72) SLC34A2GPR52PSEN1PSEN2APH1B
SCHEMBL46541 0.91 SLC34A2 (0.67) SLC34A2GPR52PSEN1PSEN2APH1B
SCHEMBL46542 0.91 SLC34A2 (0.71) SLC34A2GPR52PSEN1PSEN2APH1B

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
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 US disclosed
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 US disclosed