SCHEMBL9305647

SCHEMBL9305647

CCOC(=O)C(CC)Oc1ccc2c(c1)CC(N)CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.57
DRD2 P14416 2/20 0.54
DRD3 P35462 2/20 0.54
AR P10275 1/20 0.44
F10 P00742 5/20 0.40
PLG P00747 5/20 0.40
PRSS1 P07477 5/20 0.40
PRSS2 P07478 5/20 0.40
PRSS3 P35030 5/20 0.40
F2 P00734 4/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRK1 P41145 1/20 0.39
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
Hydrochloric Acid SCHEMBL9304125 0.99 ACHE (0.56) ACHEDRD2DRD3ARF10
SCHEMBL9305709 0.91 ACHE (0.55) ACHEDRD2DRD3F10PLG
Hydrochloric Acid SCHEMBL9305099 0.90 ACHE (0.54) ACHEDRD2DRD3F10PLG
SCHEMBL9303716 0.89 ACHE (0.53) ACHEDRD2DRD3F10PLG
Hydrochloric Acid SCHEMBL9306200 0.88 ACHE (0.52) ACHEDRD2DRD3F10PLG
SCHEMBL9518883 0.80 ACHE (0.58) ACHEDRD2DRD3HSD17B10ALDH1A1
SCHEMBL5681817 0.80 ACHE (0.58) ACHEDRD2DRD3HSD17B10ALDH1A1
SCHEMBL5679478 0.80 ACHE (0.58) ACHEDRD2DRD3HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL9443687 0.79 ACHE (0.57) ACHEDRD2DRD3HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL8765234 0.79 ACHE (0.57) ACHEDRD2DRD3HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5312961-A 2-amino-7-hydroxytetralin carboxylalkyl ethers ELF SANOFI (FR) 1994-05-17 US claimed
EP-0383686-B1 2-AMINO-7-HYDROXYTETRALINE CARBOXYALKYL ETHERS ELF SANOFI (FR) 1993-08-04 EP claimed
EP-0383686-A1 2-Amino-7-hydroxytetraline carboxyalkyl ethers ELF SANOFI (FR) 1990-08-22 EP claimed
US-5312961-A 2-amino-7-hydroxytetralin carboxylalkyl ethers ELF SANOFI (FR) 1994-05-17 US disclosed
EP-0383686-B1 2-AMINO-7-HYDROXYTETRALINE CARBOXYALKYL ETHERS ELF SANOFI (FR) 1993-08-04 EP disclosed
EP-0383686-A1 2-Amino-7-hydroxytetraline carboxyalkyl ethers ELF SANOFI (FR) 1990-08-22 EP disclosed