SCHEMBL16355227

SCHEMBL16355227

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.74
SCD O00767 3/20 0.42
GPR52 Q9Y2T5 4/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
MRGPRX4 Q96LA9 3/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MLYCD O95822 1/20 0.39
MEN1 O00255 1/20 0.38
PLA2G1B P04054 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL15432786 1.00 SLC34A2 (0.74) SLC34A2SCDGPR52ROCK2ROCK1
SCHEMBL15432793 1.00 SLC34A2 (0.74) SLC34A2SCDGPR52ROCK2ROCK1
SCHEMBL10274256 0.95 SLC34A2 (0.74) SLC34A2SCDGPR52ROCK2ROCK1
SCHEMBL15432803 0.94 SLC34A2 (0.70) SLC34A2SCDGPR52ROCK2ROCK1
SCHEMBL16355232 0.94 SLC34A2 (0.70) SLC34A2SCDGPR52ROCK2ROCK1
SCHEMBL6000395 0.93 SLC34A2 (0.72) SLC34A2SCDGPR52ROCK2ROCK1
SCHEMBL16355229 0.92 SLC34A2 (0.67) SLC34A2SCDGPR52ROCK2ROCK1
SCHEMBL15432789 0.92 SLC34A2 (0.67) SLC34A2SCDGPR52ROCK2ROCK1
SCHEMBL15432798 0.92 SLC34A2 (0.67) SLC34A2SCDGPR52ROCK2ROCK1
SCHEMBL18040406 0.91 SLC34A2 (0.67) SLC34A2SCDGPR52ROCK2ROCK1

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