SCHEMBL9305655

SCHEMBL9305655

CCOC(=O)CCCOc1ccc2c(c1)CC(N)CC2

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.60
ACHE P22303 2/20 0.56
DRD2 P14416 2/20 0.53
DRD3 P35462 2/20 0.53
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
PDK2 Q15119 2/20 0.46
PPARD Q03181 2/20 0.44
P2RY12 Q9H244 1/20 0.43
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41

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 SCHEMBL9304134 0.99 BRD4 (0.58) BRD4ACHEDRD2DRD3PDE3B
SCHEMBL9305716 0.97 BRD4 (0.56) BRD4ACHEDRD2DRD3PDE3B
Hydrochloric Acid SCHEMBL9305103 0.95 BRD4 (0.55) BRD4ACHEDRD2DRD3PDE3B
SCHEMBL9303733 0.95 BRD4 (0.55) BRD4ACHEDRD2DRD3PDE3B
Hydrochloric Acid SCHEMBL9306210 0.94 BRD4 (0.54) BRD4ACHEDRD2DRD3PDE3B
SCHEMBL5681817 0.88 ACHE (0.58) BRD4ACHEDRD2DRD3
SCHEMBL9518883 0.88 ACHE (0.58) BRD4ACHEDRD2DRD3
SCHEMBL5679478 0.88 ACHE (0.58) BRD4ACHEDRD2DRD3
Hydrochloric Acid SCHEMBL8765229 0.87 ACHE (0.57) BRD4ACHEDRD2DRD3
Hydrochloric Acid SCHEMBL9443687 0.87 ACHE (0.57) BRD4ACHEDRD2DRD3

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 3 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
US-5312961-A 2-amino-7-hydroxytetralin carboxylalkyl ethers ELF SANOFI (FR) 1994-05-17 US disclosed