SCHEMBL1695321

SCHEMBL1695321

O=C(O[C@]1(c2ccccc2)NCCc2ccccc21)C(=O)O[C@]1(c2ccccc2)NCCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.40
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
KIF11 P52732 1/20 0.36
MEN1 O00255 4/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR2A P28223 1/20 0.33
HCAR2 Q8TDS4 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
SCHEMBL4630185 1.00 HDAC9 (0.40) HDAC9EDNRBEDNRAKIF11MEN1
SCHEMBL1477982 0.86 EDNRB (0.38) HDAC9EDNRBEDNRAKIF11MEN1
SCHEMBL1668272 0.86 EDNRB (0.38) HDAC9EDNRBEDNRAKIF11MEN1
SCHEMBL28476843 0.83 KIF11 (0.37) HDAC9EDNRBEDNRAKIF11
SCHEMBL28476847 0.83 KIF11 (0.37) HDAC9EDNRBEDNRAKIF11
SCHEMBL4879031 0.78 KIF11 (0.39) HDAC9EDNRBEDNRAKIF11MEN1
SCHEMBL19644421 0.74 MEN1 (0.40) MEN1NPSR1
SCHEMBL3732088 0.74 HDAC9 (0.43) HDAC9EDNRBEDNRAKIF11MEN1
SCHEMBL27956103 0.74 HDAC9 (0.43) HDAC9EDNRBEDNRAKIF11MEN1
SCHEMBL1404156 0.72 HDAC9 (0.41) HDAC9EDNRBEDNRAKIF11MEN1

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
EP-2310387-A2 A PROCESS FOR THE PREPARATION OF SOLIFENACIN SALTS AND THEIR INCLUSION INTO PHARMACEUTICAL DOSAGE FORMS KRKA, D.D., Novo Mesto (SI) 2011-04-20 EP disclosed
WO-2010012459-A2 A PROCESS FOR THE PREPARATION OF SOLIFENACIN SALTS AND THEIR INCLUSION INTO PHARMACEUTICAL DOSAGE FORMS KRKA, D.D., NOVO MESTO (SI) 2010-02-04 WO disclosed