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SCHEMBL8910381

SCHEMBL8910381

CN1CCc2c(Cl)ccc(C(=O)OCn3cc(Cl)cn3)c2C(OC(=O)/C=C\C(=O)OC2CN(C)CCc3c(Cl)ccc(C(=O)OCn4cc(Cl)cn4)c32)C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.31
▸ ADRA2A P08913 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 1/20 0.30
▸ ADRA1D P25100 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ ADRA1B P35368 1/20 0.30

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
SCHEMBL8910507 0.80 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1DADRA1A
Fumaric Acid SCHEMBL8910384 0.79 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
Maleic Acid SCHEMBL8910373 0.79 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9317000 0.72 USP2 (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10349502 0.70 ADRA2A (0.37) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10349228 0.70 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8926751 0.69 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8910166 0.68 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9317282 0.68 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8910461 0.67 ADRA2A (0.37) ADRA2AADRA2BADRA2CADRA1DADRA1A

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-5639748-A HYPOTENSIVE AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1997-06-17 — — US disclosed