SCHEMBL29952355

SCHEMBL29952355

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 0.39
ENPEP Q07075 7/20 0.39
CACNA2D1 P54289 2/20 0.39
CACNB3 P54284 1/20 0.39
CACNA1C Q13936 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
SCHEMBL4993194 1.00 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4738603 1.00 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10022857 1.00 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL5419953 0.98 ENPEP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL29398264 0.98 ENPEP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6061139 0.86 ENPEP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL120172 0.86 ENPEP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6061611 0.86 ENPEP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6061991 0.86 ENPEP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3635576 0.86 ENPEP (0.38) GABRPGABRDGABRA1GABRB1GABRG2

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed