SCHEMBL6002088

SCHEMBL6002088

COC[C@@H]1CCCN1c1ccc(NC(=O)c2cccc(C(=O)C(C)(N)CCN3CCOCC3)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.44
SCD O00767 1/20 0.39
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38
BRAF P15056 7/20 0.38
RAF1 P04049 3/20 0.38
TRPV4 Q9HBA0 1/20 0.37
MAPK1 P28482 1/20 0.37
LCK P06239 3/20 0.36
MAPK14 Q16539 2/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
KDM1A O60341 1/20 0.35
HDAC1 Q13547 1/20 0.35
KDR P35968 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6002189 1.00 SLC34A2 (0.44) SLC34A2SCDHTR2AKCNH2BRAF
SCHEMBL19595688 0.92 SLC34A2 (0.45) SLC34A2SCDHTR2AKCNH2BRAF
SCHEMBL5999589 0.90 SLC34A2 (0.44) SLC34A2SCDHTR2AKCNH2BRAF
SCHEMBL19579945 0.89 SLC34A2 (0.45) SLC34A2SCDHTR2AKCNH2BRAF
SCHEMBL15432664 0.89 SLC34A2 (0.45) SLC34A2SCDHTR2AKCNH2BRAF
SCHEMBL15432672 0.89 SLC34A2 (0.45) SLC34A2SCDHTR2AKCNH2BRAF
SCHEMBL47765 0.88 SLC34A2 (0.46) SLC34A2SCDHTR2AKCNH2BRAF
SCHEMBL46989 0.86 SLC34A2 (0.46) SLC34A2SCDHTR2AKCNH2BRAF
SCHEMBL5998740 0.86 SLC34A2 (0.46) SLC34A2SCDHTR2AKCNH2BRAF
SCHEMBL6000194 0.86 SLC34A2 (0.43) SLC34A2SCDHTR2AKCNH2BRAF

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
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed