SCHEMBL46970

SCHEMBL46970

CC(N)(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(OC3CCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.46
MAPK1 P28482 1/20 0.40
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM1A O60341 1/20 0.40
HDAC1 Q13547 1/20 0.40
SCD O00767 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
BRAF P15056 10/20 0.39
RAF1 P04049 8/20 0.39
TRPV4 Q9HBA0 1/20 0.38
LCK P06239 1/20 0.38
MAPK14 Q16539 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL15432553 0.88 SLC34A2 (0.47) SLC34A2MAPK1HTR2AKCNH2KDM1A
SCHEMBL6002086 0.88 SLC34A2 (0.47) SLC34A2HTR2AKCNH2KDM1AHDAC1
SCHEMBL47765 0.87 SLC34A2 (0.46) SLC34A2HTR2AKCNH2KDM1AHDAC1
SCHEMBL46734 0.87 SLC34A2 (0.59) SLC34A2MAPK1HTR2AKCNH2SCD
SCHEMBL5999589 0.86 SLC34A2 (0.44) SLC34A2MAPK1HTR2AKCNH2SCD
SCHEMBL6002088 0.85 SLC34A2 (0.44) SLC34A2MAPK1HTR2AKCNH2KDM1A
SCHEMBL6002189 0.85 SLC34A2 (0.44) SLC34A2MAPK1HTR2AKCNH2KDM1A
SCHEMBL6000194 0.85 SLC34A2 (0.43) SLC34A2MAPK1HTR2AKCNH2SCD
SCHEMBL46989 0.85 SLC34A2 (0.46) SLC34A2HTR2AKCNH2KDM1AHDAC1
SCHEMBL5998740 0.85 SLC34A2 (0.46) SLC34A2HTR2AKCNH2KDM1AHDAC1

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
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