SCHEMBL24650490

SCHEMBL24650490

COC(=O)Cc1ccc(OC)c2c1CC(N)C2

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.62
CYP1A2 P05177 2/20 0.38
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
AADAT Q8N5Z0 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACHE P22303 1/20 0.36
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL24650459 0.87 ADRA1A (0.45) ADRA1ACYP1A2MTNR1AMTNR1BMEN1
SCHEMBL24650922 0.87 ADRA1A (0.64) ADRA1ACYP1A2DRD2DRD3AADAT
SCHEMBL24650989 0.86 ADRA1A (0.58) ADRA1ACYP1A2
SCHEMBL24651003 0.85 ADRA1A (0.57) ADRA1ACYP1A2MTNR1AMTNR1BKMT2A
SCHEMBL24650476 0.84 ALDH1A1 (0.44) ADRA1AMAPT
SCHEMBL24651027 0.82 ADRA1A (0.54) ADRA1AMEN1KMT2AMAPT
SCHEMBL24650313 0.82 ADRA1A (0.62) ADRA1ACYP1A2MEN1KMT2AMAPT
SCHEMBL24651146 0.80 ADRA1A (0.58) ADRA1ACYP1A2DRD2DRD3MAPT
SCHEMBL24650821 0.79 ADRA1A (0.57) ADRA1ACYP1A2DRD2DRD3MEN1
SCHEMBL14712035 0.79 LMNA (0.40) ADRA1AMEN1KMT2AMAPT

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