SCHEMBL14047149

SCHEMBL14047149

C[C@H](CO)Oc1cccnc1CC[C@@H](C)N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.36
FEN1 P39748 4/20 0.36
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SLC6A3 Q01959 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MCHR1 Q99705 3/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP2 O95551 1/20 0.31
FGB P02675 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL14092100 0.89 PPIA (0.36) ALOX5APFEN1SLC6A2ALDH1A1L3MBTL1
SCHEMBL18517443 0.82 MEN1 (0.35) ALOX5APFEN1ALDH1A1L3MBTL1MEN1
SCHEMBL14092081 0.82 MEN1 (0.35) ALOX5APFEN1ALDH1A1L3MBTL1MEN1
SCHEMBL14046822 0.77 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL14046818 0.77 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL14092245 0.75 KDM4E (0.35) ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL15291928 0.75 KDM4E (0.35) ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL17849172 0.75 KDM4E (0.35) ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL15291929 0.74 SLC13A5 (0.30)
SCHEMBL8537336 0.70 FFAR4 (0.37) ALOX5APFEN1ALDH1A1MEN1KMT2A

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-2008130464-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME TRANZYME PHARMA, INC. (US) 2008-10-30 WO disclosed