SCHEMBL7946886

SCHEMBL7946886

N[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1CCCC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC15A1 P46059 1/20 0.38
CSNK1E P49674 1/20 0.38
EPHX1 P07099 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
SLC7A5 Q01650 1/20 0.36
SLC6A2 P23975 2/20 0.35
TAAR1 Q96RJ0 2/20 0.35
DPP4 P27487 2/20 0.35
MAOA P21397 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL10591375 0.79 SLC15A1 (0.43) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7368172 0.76 TAAR1 (0.44) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7357671 0.75 SLC15A1 (0.44) SLC15A1CSNK1EEPHX1ALPIPKM
SCHEMBL11998023 0.75 SLC15A1 (0.44) SLC15A1CSNK1EEPHX1ALPIPKM
SCHEMBL11998010 0.75 SLC15A1 (0.44) SLC15A1CSNK1EEPHX1ALPIPKM
SCHEMBL6580113 0.75 SLC15A1 (0.44) SLC15A1CSNK1EEPHX1ALPIPKM
SCHEMBL10871667 0.74 EPHX2 (0.45) SLC15A1CSNK1EEPHX1IDO1ALPI
SCHEMBL7361302 0.74 CYP1A2 (0.47) SLC15A1SLC6A2SLC6A4LAP3ANPEP
SCHEMBL11998011 0.71 AKR1C3 (0.40) SLC15A1CSNK1EEPHX1IDO1DPP4
SCHEMBL7360306 0.71 SLC15A1 (0.47) MEN1KMT2ASLC15A1CSNK1EALPI

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-2010042892-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2010-04-15 WO disclosed