SCHEMBL9548515

SCHEMBL9548515

CC(=O)OOc1ccc(Cl)c2c1CCN(C)CC2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.56
ADRA2B P18089 4/20 0.56
ADRA2C P18825 4/20 0.56
ADRA1D P25100 3/20 0.56
ADRA1A P35348 3/20 0.56
ADRA1B P35368 3/20 0.56
CYP2D6 P10635 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
NOTUM Q6P988 3/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL9548521 0.85 ADRA2A (0.59) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379780 0.77 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8911267 0.76 ADRA2A (0.66) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10349370 0.75 ADRA2A (0.65) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10349232 0.75 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8911881 0.74 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10349231 0.73 ADRA2A (0.70) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8911888 0.72 ADRA2A (0.65) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8091302 0.72 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9374611 0.72 ADRA2A (0.51) 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
WO-1993003015-A1 HETEROALKOXY BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 1993-02-18 WO disclosed