SCHEMBL9518883

SCHEMBL9518883

CCOC(=O)COc1ccc2c(c1)C[C@H](N)CC2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.58
DRD2 P14416 2/20 0.56
DRD3 P35462 2/20 0.56
POLB P06746 1/20 0.51
ADRB3 P13945 1/20 0.50
GAA P10253 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 3/20 0.46
KDM4E B2RXH2 2/20 0.46
BRD4 O60885 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.42

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
SCHEMBL5679478 1.00 ACHE (0.58) ACHEDRD2DRD3POLBADRB3
SCHEMBL5681817 1.00 ACHE (0.58) ACHEDRD2DRD3POLBADRB3
Hydrochloric Acid SCHEMBL8765229 0.99 ACHE (0.57) ACHEDRD2DRD3POLBADRB3
Hydrochloric Acid SCHEMBL8765234 0.99 ACHE (0.57) ACHEDRD2DRD3POLBADRB3
Hydrochloric Acid SCHEMBL9443687 0.99 ACHE (0.57) ACHEDRD2DRD3POLBADRB3
SCHEMBL8765782 0.93 ADRB3 (0.55) ACHEDRD2DRD3POLBADRB3
SCHEMBL8766026 0.93 GAA (0.50) ACHEDRD2DRD3POLBADRB3
Hydrochloric Acid SCHEMBL8766863 0.91 ADRB3 (0.51) ACHEDRD2DRD3POLBADRB3
Hydrochloric Acid SCHEMBL8765354 0.89 GAA (0.51) ACHEPOLBADRB3GAANPSR1
SCHEMBL9305655 0.88 BRD4 (0.60) ACHEDRD2DRD3BRD4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347313-B1 2-Amino-7-hydroxytetraline ethers SANOFI ELF (FR) 1993-12-15 EP claimed
US-5159103-A 2-amino-7-hydroxytetraline ethers SANOFI (FR) 1992-10-27 US claimed
EP-0347313-A2 2-Amino-7-hydroxytetraline ethers ELF SANOFI (FR) 1989-12-20 EP claimed
EP-0347313-B1 2-Amino-7-hydroxytetraline ethers SANOFI ELF (FR) 1993-12-15 EP disclosed
EP-0347313-A2 2-Amino-7-hydroxytetraline ethers ELF SANOFI (FR) 1989-12-20 EP disclosed