SCHEMBL9034907

SCHEMBL9034907

CCOC(=O)C(N)C(O)c1ccc(CC2CCCCCN2)s1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 2/20 0.40
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PLA2G1B P04054 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32

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
SCHEMBL9032190 0.84 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4POLBKMT2A
SCHEMBL9033707 0.83 POLB (0.38) SLC6A3SLC6A2SLC6A4POLBMEN1
SCHEMBL9033059 0.82 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4POLBCYP2D6
SCHEMBL9034654 0.81 SLC6A2 (0.35) SLC6A3SLC6A2SLC6A4MEN1GAA
SCHEMBL9033398 0.75 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4POLBALDH1A1
SCHEMBL9032746 0.74 POLB (0.39) POLBTSHRALDH1A1
SCHEMBL9033022 0.74 POLB (0.37) SLC6A3SLC6A2SLC6A4POLBMEN1
SCHEMBL9033441 0.74 HRH3 (0.43) MEN1GAAKMT2ATSHRALDH1A1
SCHEMBL8697840 0.73 POLB (0.37) SLC6A3SLC6A2SLC6A4POLBMEN1
SCHEMBL9034695 0.73 CTSL (0.34) POLBMEN1GAAKMT2ATSHR

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
EP-0696586-A1 SERINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed