SCHEMBL46790

SCHEMBL46790

CCN(CC)c1ccc(NC(=O)c2cccc(CSc3cccc(CC(=O)NC)c3)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.66
ROCK2 O75116 3/20 0.36
ROCK1 Q13464 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
MLYCD O95822 1/20 0.36
GPR52 Q9Y2T5 3/20 0.36
EPHB4 P54760 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MEN1 O00255 1/20 0.36
PLA2G1B P04054 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL46755 0.93 SLC34A2 (0.71) SLC34A2ROCK2ROCK1MRGPRX4MLYCD
SCHEMBL15432733 0.85 SLC34A2 (0.75) SLC34A2ROCK2ROCK1MRGPRX4MLYCD
SCHEMBL46784 0.84 SLC34A2 (0.70) SLC34A2ROCK2ROCK1MLYCDGPR52
SCHEMBL46753 0.84 SLC34A2 (0.70) SLC34A2ROCK2ROCK1MRGPRX4MLYCD
SCHEMBL40155 0.84 SLC34A2 (0.72) SLC34A2ROCK2ROCK1MLYCDPSEN1
SCHEMBL18482330 0.83 SLC34A2 (0.65) SLC34A2ROCK2ROCK1MRGPRX4MLYCD
SCHEMBL40279 0.83 SLC34A2 (0.69) SLC34A2ROCK2ROCK1MLYCDGPR52
SCHEMBL15432735 0.83 SLC34A2 (0.66) SLC34A2ROCK2ROCK1MRGPRX4GPR52
SCHEMBL19595728 0.83 SLC34A2 (0.69) SLC34A2ROCK2ROCK1MLYCDGPR52
SCHEMBL46990 0.82 SLC34A2 (0.56) SLC34A2MRGPRX4MLYCDMEN1PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed