SCHEMBL11239409

SCHEMBL11239409

O=C(O)[C@@H]1C[C@H](CCCc2ccccc2)CN1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.51
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HIF1A Q16665 1/20 0.46
AGTR2 P50052 1/20 0.43
GRIK1 P39086 4/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL11239411 1.00 ARG1 (0.51) ARG1KDM4EMAPTHIF1AAGTR2
SCHEMBL19432303 1.00 ARG1 (0.51) ARG1KDM4EMAPTHIF1AAGTR2
SCHEMBL11243295 0.91 ARG1 (0.54) ARG1KDM4EMAPTHIF1AGRIK1
SCHEMBL11243299 0.91 ARG1 (0.54) ARG1KDM4EMAPTHIF1AGRIK1
SCHEMBL4862877 0.87 ARG1 (0.48) ARG1MAPTGRIK1SMN1; SMN2
SCHEMBL5516614 0.87 ARG1 (0.48) ARG1GRIK1HDAC3HDAC4HDAC1
SCHEMBL5510068 0.87 ARG1 (0.48) ARG1AGTR2GRIK1GRM2GRM3
SCHEMBL11248416 0.84 ARG1 (0.45) ARG1KDM4EGRIK1SMN1; SMN2
SCHEMBL1706921 0.81 HRH3 (0.54) ARG1GRIK1F2
SCHEMBL22536533 0.81 HRH3 (0.54) ARG1GRIK1F2

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
US-4316905-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 US disclosed