SCHEMBL16355245

SCHEMBL16355245

CCOCCOCCOCCOCCCc1cccc(C(=O)Nc2ccc(N(CC)CC)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.73
GPR52 Q9Y2T5 2/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 1/20 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 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
PLA2G1B P04054 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL6001902 0.96 SLC34A2 (0.73) SLC34A2GPR52ROCK2ROCK1PSEN1
SCHEMBL6000395 0.95 SLC34A2 (0.72) SLC34A2GPR52ROCK2ROCK1PSEN1
SCHEMBL46542 0.95 SLC34A2 (0.71) SLC34A2GPR52ROCK2ROCK1PSEN1
SCHEMBL15432880 0.94 SLC34A2 (0.72) SLC34A2GPR52ROCK2ROCK1PSEN1
SCHEMBL44914 0.94 SLC34A2 (0.82) SLC34A2GPR52ROCK2ROCK1PSEN1
SCHEMBL15444480 0.94 SLC34A2 (0.70) SLC34A2GPR52ROCK2ROCK1PSEN1
SCHEMBL6001829 0.94 SLC34A2 (0.82) SLC34A2GPR52ROCK2ROCK1PSEN1
SCHEMBL5999770 0.94 SLC34A2 (0.70) SLC34A2GPR52ROCK2ROCK1PSEN1
SCHEMBL47055 0.94 SLC34A2 (0.82) SLC34A2GPR52ROCK2ROCK1PSEN1
SCHEMBL46770 0.94 SLC34A2 (0.82) SLC34A2GPR52ROCK2ROCK1PSEN1

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