SCHEMBL24650313

SCHEMBL24650313

COC(=O)COc1ccc(OC)c2c1CC(N)C2

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.62
PTGDR Q13258 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
LMNA P02545 1/20 0.42
APP P05067 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
HMGCR P04035 2/20 0.41
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 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
SCHEMBL24650302 0.90 ADRA1A (0.47) ADRA1APTGDRPTGDR2LMNAMEN1
SCHEMBL24650309 0.89 ADRA1A (0.46) ADRA1APTGDRPTGDR2LMNAAPP
SCHEMBL24650305 0.87 ADRA1A (0.57) ADRA1AMEN1KMT2ACYP1A2TSHR
SCHEMBL24650909 0.87 ADRA1A (0.64) ADRA1APTGDR2MEN1KMT2ACYP1A2
SCHEMBL24651146 0.86 ADRA1A (0.58) ADRA1ALMNACYP1A2TSHRMAPT
SCHEMBL24650821 0.85 ADRA1A (0.57) ADRA1AMEN1KMT2ACYP1A2TSHR
SCHEMBL24650380 0.82 ADRA1A (0.43) ADRA1APTGDRPTGDR2LMNAAPP
SCHEMBL24650914 0.82 ADRA1A (0.46) ADRA1APTGDRPTGDR2TSHR
SCHEMBL24650490 0.82 ADRA1A (0.62) ADRA1AMEN1KMT2ACYP1A2MAPT
SCHEMBL24650452 0.82 DRD2 (0.46) ADRA1ALMNAMEN1KMT2ACYP1A2

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