SCHEMBL40212

SCHEMBL40212

CCN(CC)c1ccc(NC(=O)c2cccc(C(=O)N(C)CCOC(=O)C3CCCN3)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.58
ROCK2 O75116 6/20 0.38
ROCK1 Q13464 3/20 0.38
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
GPR52 Q9Y2T5 3/20 0.35
CCR2 P41597 1/20 0.34
CHRM3 P20309 1/20 0.34
BRAF P15056 1/20 0.33
SCD O00767 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL47003 0.83 SLC34A2 (0.79) SLC34A2ROCK2ROCK1PSEN1PSEN2
SCHEMBL15420909 0.81 SLC34A2 (0.57) SLC34A2ROCK2ROCK1PSEN1PSEN2
SCHEMBL40211 0.81 SLC34A2 (0.57) SLC34A2ROCK2ROCK1PSEN1PSEN2
SCHEMBL15421437 0.81 SLC34A2 (0.55) SLC34A2ROCK2ROCK1PSEN1PSEN2
SCHEMBL15421440 0.81 SLC34A2 (0.55) SLC34A2ROCK2ROCK1PSEN1PSEN2
SCHEMBL40113 0.81 SLC34A2 (0.68) SLC34A2ROCK2ROCK1PSEN1PSEN2
SCHEMBL18482989 0.81 SLC34A2 (0.53) SLC34A2ROCK2ROCK1PSEN1PSEN2
SCHEMBL47063 0.81 SLC34A2 (0.66) SLC34A2ROCK2ROCK1PSEN1PSEN2
SCHEMBL40155 0.80 SLC34A2 (0.72) SLC34A2ROCK2ROCK1PSEN1PSEN2
SCHEMBL15432551 0.80 SLC34A2 (0.59) SLC34A2BRAFSCD

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-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 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