SCHEMBL21556992

SCHEMBL21556992

N=C(N)NCC(O)c1cc(O)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 6/20 0.43
▸ ADRA2B P18089 6/20 0.43
▸ ADRA2C P18825 6/20 0.43
▸ ADRA1A P35348 5/20 0.33
▸ ADRB2 P07550 5/20 0.33
▸ ADRB1 P08588 4/20 0.33
▸ ADRB3 P13945 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ DRD1 P21728 3/20 0.33
▸ ADRA1B P35368 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ ADRA1D P25100 2/20 0.33

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
SCHEMBL22826941 0.84 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL20852478 0.84 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL13840704 0.84 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL19361305 0.84 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL31392616 0.76 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL10445887 0.75 MAPT (0.60) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL7150196 0.75 TAAR1 (0.54) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL31392618 0.75 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL20852549 0.74 HIF1A (0.61) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL14769097 0.74 HIF1A (0.61) ADRA2AADRA2BADRA2CADRA1AADRB2

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-3567029-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2019-11-13 — — EP disclosed
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