SCHEMBL9268106

SCHEMBL9268106

COC(=O)Cc1cccc(NCC(C)N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.56
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB3 P13945 1/20 0.43
SYK P43405 1/20 0.42
HSP90AB1 P08238 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
TSHR P16473 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9268108 1.00 SLC7A5 (0.56) SLC7A5ALDH1A1GAAGFERFNTA
SCHEMBL693509 0.81 SLC7A5 (0.76) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL732469 0.81 SLC7A5 (0.76) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL4979499 0.81 SLC7A5 (0.51) SLC7A5ALDH1A1GAAGFERSYK
SCHEMBL4613338 0.81 SLC7A5 (0.76) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL9275128 0.80 SLC7A5 (0.46) SLC7A5FNTAFNTBPGGT1BADRB2
Hydrochloric Acid SCHEMBL4863108 0.80 SLC7A5 (0.74) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL17869670 0.79 SLC7A5 (0.56) SLC7A5ALDH1A1GAAGFERSYK
SCHEMBL693860 0.77 SLC7A5 (0.54) SLC7A5ALDH1A1GAAGFERSYK
SCHEMBL12028667 0.77 SLC7A5 (0.48) SLC7A5ALDH1A1GAAGFERSYK

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-1995033724-A1 PHENETHANOLAMINE DERIVATIVES AND THEIR USE AS ATYPICAL BETA-ADRENOCEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1995-12-14 WO disclosed