SCHEMBL9303733

SCHEMBL9303733

CCOC(=O)CCCCCOc1ccc2c(c1)CC(N)CC2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.55
ACHE P22303 2/20 0.54
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
FFAR1 O14842 1/20 0.46
PDK2 Q15119 2/20 0.46
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
ALDH2 P05091 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PPARD Q03181 1/20 0.43
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
PLA2G2A P14555 1/20 0.41
LTA4H P09960 1/20 0.40

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 SCHEMBL9306210 0.99 BRD4 (0.54) BRD4ACHEDRD2DRD3FFAR1
SCHEMBL9305716 0.99 BRD4 (0.56) BRD4ACHEDRD2DRD3FFAR1
Hydrochloric Acid SCHEMBL9305103 0.98 BRD4 (0.55) BRD4ACHEDRD2DRD3FFAR1
SCHEMBL9305655 0.95 BRD4 (0.60) BRD4ACHEDRD2DRD3PDK2
Hydrochloric Acid SCHEMBL9304134 0.94 BRD4 (0.58) BRD4ACHEDRD2DRD3PDK2
SCHEMBL5681817 0.86 ACHE (0.58) BRD4ACHEDRD2DRD3
SCHEMBL5679478 0.86 ACHE (0.58) BRD4ACHEDRD2DRD3
SCHEMBL9518883 0.86 ACHE (0.58) BRD4ACHEDRD2DRD3
Hydrochloric Acid SCHEMBL9443687 0.85 ACHE (0.57) BRD4ACHEDRD2DRD3
Hydrochloric Acid SCHEMBL8765229 0.85 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