SCHEMBL9305709

SCHEMBL9305709

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.55
DRD2 P14416 6/20 0.52
DRD3 P35462 6/20 0.52
F10 P00742 4/20 0.39
PRSS1 P07477 4/20 0.39
PRSS2 P07478 4/20 0.39
PRSS3 P35030 4/20 0.39
PLG P00747 3/20 0.39
F2 P00734 2/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
DRD4 P21917 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
OPRK1 P41145 1/20 0.37

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 SCHEMBL9305099 0.99 ACHE (0.54) ACHEDRD2DRD3F10PRSS1
SCHEMBL9303716 0.93 ACHE (0.53) ACHEDRD2DRD3F10PRSS1
Hydrochloric Acid SCHEMBL9306200 0.92 ACHE (0.52) ACHEDRD2DRD3F10PRSS1
SCHEMBL9305647 0.91 ACHE (0.57) ACHEDRD2DRD3F10PRSS1
Hydrochloric Acid SCHEMBL9304125 0.90 ACHE (0.56) ACHEDRD2DRD3F10PRSS1
SCHEMBL9513897 0.79 GRIN2B (0.49) ACHEDRD2DRD3MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL9304446 0.78 GRIN2B (0.48) ACHEDRD2DRD3
SCHEMBL5679478 0.78 ACHE (0.58) ACHEDRD2DRD3
SCHEMBL9518883 0.78 ACHE (0.58) ACHEDRD2DRD3
SCHEMBL5681817 0.78 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