SCHEMBL24650375

SCHEMBL24650375

COc1c(C(=O)O)ccc2c1CC(N)C2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.37
DRD2 P14416 3/20 0.37
DRD3 P35462 2/20 0.37
KYAT1 Q16773 1/20 0.36
KYAT3 Q6YP21 1/20 0.36
AADAT Q8N5Z0 1/20 0.36
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL24650376 0.84 TSHR (0.34) ADRA1AMAPTALDH1A1HSD17B10
SCHEMBL24650374 0.78 MAPK1 (0.42) TDP1MAPTALDH1A1DRD2DRD3
SCHEMBL24651008 0.76 ADRA1A (0.44) ADRA1ATDP1ALDH1A1DRD2DRD3
SCHEMBL24650803 0.76 ADRA1A (0.54) ADRA1ATDP1DRD2DRD3AADAT
SCHEMBL8542873 0.76 ADRA1A (0.63) ADRA1ADRD2DRD3POLB
SCHEMBL24650542 0.75 DRD3 (0.37) ADRA1ADRD2DRD3POLB
SCHEMBL24650805 0.75 ADRA1A (0.68) ADRA1ATDP1MAPTALDH1A1DRD2
SCHEMBL833488 0.74 TDP1 (0.45) TDP1MAPTALDH1A1POLBHSD17B10
Hydrochloric Acid SCHEMBL9696131 0.74 ADRA1A (0.61) ADRA1ADRD2DRD3POLB
SCHEMBL24650804 0.73 DRD2 (0.41) ADRA1AALDH1A1DRD2DRD3KYAT1

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