SCHEMBL9514819

SCHEMBL9514819

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.49
ADRB3 P13945 1/20 0.44
DRD2 P14416 4/20 0.44
DRD3 P35462 3/20 0.43
HTR1D P28221 1/20 0.43
ACHE P22303 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
SCHEMBL9443702 0.85 ADRB3 (0.56) GRIN2BADRB3DRD2DRD3HTR1D
SCHEMBL9513685 0.85 GRIN2B (0.51) GRIN2BDRD2DRD3HTR1DACHE
Hydrochloric Acid SCHEMBL9443699 0.85 ADRB3 (0.56) GRIN2BADRB3DRD2DRD3HTR1D
Hydrochloric Acid SCHEMBL9305400 0.84 GRIN2B (0.50) GRIN2BDRD2DRD3HTR1DACHE
SCHEMBL9513897 0.83 GRIN2B (0.49) GRIN2BDRD2DRD3HTR1DACHE
SCHEMBL9513692 0.83 BRD4 (0.50) GRIN2BADRB3DRD2DRD3
SCHEMBL9513902 0.82 GRIN2B (0.48) GRIN2BADRB3DRD2
Hydrochloric Acid SCHEMBL9305410 0.82 BRD4 (0.49) GRIN2BADRB3DRD2DRD3HTR1D
Hydrochloric Acid SCHEMBL9304446 0.82 GRIN2B (0.48) GRIN2BDRD2DRD3HTR1DACHE
SCHEMBL8765904 0.82 ADRB3 (0.49) GRIN2BADRB3DRD2DRD3

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
EP-0383686-B1 2-AMINO-7-HYDROXYTETRALINE CARBOXYALKYL ETHERS ELF SANOFI (FR) 1993-08-04 EP claimed