SCHEMBL9303716

SCHEMBL9303716

CCCCC(Oc1ccc2c(c1)CC(N)CC2)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.53
DRD2 P14416 6/20 0.50
DRD3 P35462 6/20 0.50
ALDH2 P05091 2/20 0.42
F10 P00742 3/20 0.38
PRSS1 P07477 3/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
F2 P00734 2/20 0.38
PLG P00747 2/20 0.38
DRD4 P21917 2/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36

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 SCHEMBL9306200 0.99 ACHE (0.52) ACHEDRD2DRD3ALDH2F10
SCHEMBL9305709 0.93 ACHE (0.55) ACHEDRD2DRD3F10PRSS1
Hydrochloric Acid SCHEMBL9305099 0.92 ACHE (0.54) ACHEDRD2DRD3F10PRSS1
SCHEMBL9305647 0.89 ACHE (0.57) ACHEDRD2DRD3F10PRSS1
Hydrochloric Acid SCHEMBL9304125 0.88 ACHE (0.56) ACHEDRD2DRD3F10PRSS1
SCHEMBL9513945 0.80 GRIN2B (0.47) ACHEDRD2DRD3
Hydrochloric Acid SCHEMBL9304769 0.79 GRIN2B (0.47) ACHEDRD2DRD3
SCHEMBL9305655 0.76 BRD4 (0.60) ACHEDRD2DRD3
SCHEMBL5679478 0.76 ACHE (0.58) ACHEDRD2DRD3
SCHEMBL9518883 0.76 ACHE (0.58) ACHEDRD2DRD3

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