SCHEMBL21612892

SCHEMBL21612892

CC(=O)OOC1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
TSHR P16473 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
PMP22 Q01453 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
EPHX1 P07099 2/20 0.35
ALOX15 P16050 1/20 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
Hydrochloric Acid SCHEMBL7371430 0.98 GABRA1 (0.37) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL21612943 0.88 SLC6A1 (0.34) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL2593265 0.84
SCHEMBL7649410 0.79 EPHX1 (0.36) TSHREPHX1
SCHEMBL7653162 0.79
SCHEMBL1490076 0.77 GABRA1 (0.41) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL21381 0.77 EPHX1 (0.39) EPHX1
SCHEMBL7344765 0.76 GABRA1 (0.39) GABRA1TSHRGABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL306364 0.76 GABRA1 (0.39) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL28879749 0.76 EPHX1 (0.38) EPHX1

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-2020009176-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF 田辺三菱製薬株式会社 2020-01-09 WO disclosed