SCHEMBL24650397

SCHEMBL24650397

CCOc1c(OCCC(=O)O)ccc2c1CC(N)C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.36
ADRA1A P35348 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
DRD3 P35462 4/20 0.33
DRD1 P21728 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACHE P22303 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.32
AGTR2 P50052 2/20 0.32
GLA P06280 1/20 0.32
DRD2 P14416 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL24650255 0.89 CYSLTR2 (0.36) PTGDR2ADRA1AL3MBTL1CYP2C19TSHR
SCHEMBL24650390 0.89 LMNA (0.46) LMNAPTGDR2ADRA1AL3MBTL1DRD3
SCHEMBL24650734 0.88 ADRA1A (0.36) ADRA1AL3MBTL1DRD3DRD1HPGD
SCHEMBL24650740 0.88 BRD4 (0.38) ADRA1AL3MBTL1DRD3DRD1KDM4E
SCHEMBL24651006 0.88 GLA (0.46) LMNAPTGDR2ADRA1AL3MBTL1ALDH1A1
SCHEMBL24650748 0.85 MAPT (0.43) ADRA1AL3MBTL1DRD3DRD1HPGD
SCHEMBL24650408 0.85 BRD4 (0.45) L3MBTL1AGTR2
SCHEMBL24650254 0.83 L3MBTL1 (0.37) ADRA1AL3MBTL1DRD3DRD1KDM4E
SCHEMBL24650741 0.83 ADRA1A (0.41) LMNAPTGDR2ADRA1ADRD3DRD1
SCHEMBL24650403 0.82 LMNA (0.39) LMNAPTGDR2ADRA1AL3MBTL1DRD3

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-2022238507-A1 THERAPEUTIC AMINOINDANE COMPOUNDS AND COMPOSITIONS AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2022-11-17 WO disclosed