SCHEMBL27697385

SCHEMBL27697385

[CH2]C[C@@H](C(=O)OCC)C1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.45
SLC6A3 Q01959 6/20 0.45
SLC6A4 P31645 5/20 0.45
CPN1 P15169 1/20 0.45
CPB2 Q96IY4 1/20 0.45
SMYD3 Q9H7B4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
OPRD1 P41143 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
SCHEMBL28763756 1.00 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4CPN1CPB2
SCHEMBL17729118 0.86 CPN1 (0.47) SLC6A2SLC6A3SLC6A4CPN1CPB2
SCHEMBL5717304 0.83 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4CPN1CPB2
SCHEMBL4431618 0.81 CPN1 (0.42) SLC6A2SLC6A3SLC6A4CPN1CPB2
SCHEMBL11395732 0.79 L3MBTL1 (0.53) SLC6A2SLC6A3SLC6A4CPN1CPB2
SCHEMBL6209921 0.78 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4CPN1CPB2
SCHEMBL2254747 0.77 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4CPN1CPB2
SCHEMBL27678545 0.77 CPN1 (0.67) CPN1CPB2OPRD1
SCHEMBL27697382 0.77 CPN1 (0.67) CPN1CPB2OPRD1
SCHEMBL9243968 0.76 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4CPN1CPB2

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
CN-85105066-A The production of condensed seven-membered compounds, their and application 1986-12-31 CN disclosed