SCHEMBL23622003

SCHEMBL23622003

CC(C)C(=O)[C@@H](N)CCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 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
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38
SLC15A1 P46059 1/20 0.37
GSR P00390 2/20 0.35
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL23897859 0.88 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12937988 0.88 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31267174 0.88 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17173859 0.82 GSR (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13857618 0.82 SLC15A1 (0.55) SLC15A1DPP7TP53GRIK1SLC1A3
SCHEMBL12280588 0.82 GSR (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12278737 0.82 GSR (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13484492 0.82 SLC15A1 (0.55) SLC15A1DPP7TP53GRIK1SLC1A3
SCHEMBL13300681 0.82 SLC15A1 (0.55) SLC15A1DPP7TP53GRIK1SLC1A3
SCHEMBL14133799 0.80 OPRM1 (0.56) SLC15A1DPP7TP53GRIK1SLC1A2

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-2021137913-A2 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2021-07-08 WO disclosed