SCHEMBL9513685

SCHEMBL9513685

CCOC(=O)C(CC)Oc1ccc2c(c1)CC(NCc1ccccc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.51
DRD2 P14416 4/20 0.45
DRD3 P35462 3/20 0.45
HTR1D P28221 1/20 0.44
ACHE P22303 1/20 0.43
FYN P06241 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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 SCHEMBL9305400 0.99 GRIN2B (0.50) GRIN2BDRD2DRD3HTR1DACHE
SCHEMBL9513897 0.92 GRIN2B (0.49) GRIN2BDRD2DRD3HTR1DACHE
Hydrochloric Acid SCHEMBL9304446 0.92 GRIN2B (0.48) GRIN2BDRD2DRD3HTR1DACHE
SCHEMBL9513945 0.91 GRIN2B (0.47) GRIN2BDRD2DRD3HTR1DACHE
Hydrochloric Acid SCHEMBL9304769 0.90 GRIN2B (0.47) GRIN2BDRD2DRD3HTR1DACHE
SCHEMBL9514819 0.85 GRIN2B (0.49) GRIN2BDRD2DRD3HTR1DACHE
Hydrochloric Acid SCHEMBL8766600 0.83 GRIN2B (0.45) GRIN2BDRD2DRD3HTR1DFYN
SCHEMBL8765904 0.83 ADRB3 (0.49) GRIN2BDRD2DRD3FYN
SCHEMBL9443702 0.83 ADRB3 (0.56) GRIN2BDRD2DRD3HTR1D
Hydrochloric Acid SCHEMBL9443699 0.82 ADRB3 (0.56) GRIN2BDRD2DRD3HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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