SCHEMBL28807484

SCHEMBL28807484

O=C(O)CC1CNCCC1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 6/20 0.57
SLC6A13 Q9NSD5 6/20 0.57
SLC6A12 P48065 5/20 0.57
SLC6A1 P30531 4/20 0.57
GABRA5 P31644 3/20 0.57
GABRB2 P47870 3/20 0.57
GABRA1 P14867 2/20 0.57
GABRA4 P48169 2/20 0.57
GABRR1 P24046 1/20 0.57
TSHR P16473 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRE P78334 1/20 0.35
PMP22 Q01453 1/20 0.35
GABRA6 Q16445 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
SCHEMBL1249680 0.84 SLC6A11 (0.57) SLC6A11SLC6A13SLC6A12SLC6A1GABRA5
SCHEMBL1249678 0.84 SLC6A11 (0.57) SLC6A11SLC6A13SLC6A12SLC6A1GABRA5
SCHEMBL1251294 0.84 SLC6A11 (0.57) SLC6A11SLC6A13SLC6A12SLC6A1GABRA5
SCHEMBL1249676 0.84 SLC6A11 (0.57) SLC6A11SLC6A13SLC6A12SLC6A1GABRA5
SCHEMBL1251296 0.84 SLC6A11 (0.57) SLC6A11SLC6A13SLC6A12SLC6A1GABRA5
SCHEMBL19815606 0.78 SLC6A11 (0.55) SLC6A11SLC6A13SLC6A12SLC6A1GABRA5
SCHEMBL11050032 0.77 SLC6A11 (0.53) SLC6A11SLC6A13SLC6A12SLC6A1GABRA5
Hydrochloric Acid SCHEMBL28784255 0.77 SLC6A11 (0.53) SLC6A11SLC6A13SLC6A12SLC6A1GABRA5
SCHEMBL3619898 0.76 SLC6A1 (0.39) SLC6A11SLC6A13SLC6A12SLC6A1GABRA5
SCHEMBL3619899 0.76 SLC6A1 (0.39) SLC6A11SLC6A13SLC6A12SLC6A1GABRA5

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
CN-103596952-A Substituted pyridopyrazines as novel Syk inhibitors HUTCHISON MEDIPHARMA LTD 2014-02-19 CN disclosed