SCHEMBL24650747

SCHEMBL24650747

COC(=O)CCOc1ccc2c(c1O)CC(N)C2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.39
MAPT P10636 1/20 0.38
DRD2 P14416 8/20 0.35
DRD3 P35462 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL24650729 0.94 MAPT (0.45) ADRA1AMAPTDRD2DRD3CYP1A2
SCHEMBL24650727 0.88 PDE4A (0.38) ADRA1A
SCHEMBL24650381 0.87 ADRA1A (0.41) ADRA1AMAPTCYP1A2
SCHEMBL24650732 0.86 ADRA1A (0.41) ADRA1AMAPTDRD2DRD3
SCHEMBL24650403 0.86 LMNA (0.39) ADRA1ADRD2DRD3
SCHEMBL24650734 0.84 ADRA1A (0.36) ADRA1AMAPTDRD2DRD3CYP1A2
SCHEMBL24651148 0.84 ADRA1A (0.44) ADRA1ADRD2DRD3
SCHEMBL24650450 0.84 DRD2 (0.47) ADRA1AMAPTDRD2DRD3CYP1A2
SCHEMBL24651158 0.82 ADRA1A (0.44) ADRA1AMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL24651146 0.82 ADRA1A (0.58) ADRA1AMAPTDRD2DRD3CYP1A2

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