SCHEMBL18059149

SCHEMBL18059149

COCCN(C)CCN(C)C(=O)c1cccc(Cc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.44
SLC34A2 O95436 1/20 0.42
GPR52 Q9Y2T5 1/20 0.40
KDM4E B2RXH2 2/20 0.39
BRAF P15056 4/20 0.39
ROCK1 Q13464 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
RAF1 P04049 2/20 0.37
MLYCD O95822 1/20 0.36
GRK2 P25098 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
SCHEMBL15421020 0.90 SLC34A2 (0.51) ROCK2SLC34A2GPR52KDM4EBRAF
SCHEMBL18059165 0.87 CHRM3 (0.45) ROCK2SLC34A2KDM4EBRAFROCK1
SCHEMBL6001620 0.86 SLC34A2 (0.53) ROCK2SLC34A2GPR52KDM4EBRAF
SCHEMBL15432500 0.84 SLC34A2 (0.49) ROCK2SLC34A2GPR52KDM4EBRAF
SCHEMBL18059164 0.82 SLC34A2 (0.43) ROCK2SLC34A2GPR52KDM4EBRAF
SCHEMBL46754 0.81 SLC34A2 (0.51) ROCK2SLC34A2GPR52KDM4EBRAF
SCHEMBL15432499 0.81 SLC34A2 (0.51) ROCK2SLC34A2KDM4EBRAFROCK1
SCHEMBL18059177 0.81 SLC34A2 (0.46) ROCK2SLC34A2KDM4EBRAFHRH4
SCHEMBL46659 0.81 SLC34A2 (0.52) ROCK2SLC34A2KDM4EBRAFROCK1
SCHEMBL46963 0.80 SLC34A2 (0.54) ROCK2SLC34A2GPR52KDM4EBRAF

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
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed