SCHEMBL8915209

SCHEMBL8915209

NC1=NCC(C(=O)O)CN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 1.00
GABRA5 P31644 6/20 1.00
GABRB2 P47870 6/20 1.00
GABRA4 P48169 6/20 1.00
GABRP O00591 5/20 1.00
GABRD O14764 5/20 1.00
GABRB1 P18505 5/20 1.00
GABRG2 P18507 5/20 1.00
GABRB3 P28472 5/20 1.00
GABRA3 P34903 5/20 1.00
GABRA2 P47869 5/20 1.00
GABRE P78334 5/20 1.00
GABRA6 Q16445 5/20 1.00
GABRG1 Q8N1C3 5/20 1.00
GABRG3 Q99928 5/20 1.00
GABRQ Q9UN88 5/20 1.00
GABRR1 P24046 3/20 1.00
SLC6A1 P30531 3/20 0.46
SLC6A11 P48066 2/20 0.46
SLC6A12 P48065 1/20 0.46

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
SCHEMBL8305945 0.78 GABRA1 (0.64) GABRA1GABRA5GABRB2GABRA4GABRP
Hydrochloric Acid SCHEMBL8622201 0.77 GABRA1 (0.62) GABRA1GABRA5GABRB2GABRA4GABRP
SCHEMBL8914146 0.74 GABRA1 (0.58) GABRA1GABRA5GABRB2GABRA4GABRP
Hydrochloric Acid SCHEMBL8914604 0.73 GABRA1 (0.57) GABRA1GABRA5GABRB2GABRA4GABRP
SCHEMBL34473913 0.70 GABRP (0.53) GABRA1GABRA5GABRB2GABRA4GABRP
SCHEMBL34472949 0.69 GABRA1 (0.51) GABRA1GABRA5GABRB2GABRA4GABRP
SCHEMBL34472859 0.69 GABRP (0.51) GABRA1GABRA5GABRB2GABRA4GABRP
SCHEMBL34473132 0.68 GABRP (0.50) GABRA1GABRA5GABRB2GABRA4GABRP
SCHEMBL11788692 0.67
SCHEMBL3536151 0.66

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
US-5618818-A STIMULATE MUSCARINIC RECEPTORS IN CENTRAL NERVOUS SYSTEM THE UNIVERSITY OF TOLEDO (US) 1997-04-08 US disclosed