SCHEMBL9306007

SCHEMBL9306007

CCOC(=O)C(C)(C)Oc1ccc2c(c1)C[C@@H](N)CC2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.56
DRD2 P14416 2/20 0.53
DRD3 P35462 2/20 0.53
PPARA Q07869 3/20 0.49
ABCB11 O95342 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
HTR2A P28223 1/20 0.49
PMP22 Q01453 1/20 0.49
PPARG P37231 2/20 0.44
FBP1 P09467 7/20 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
SCHEMBL9305104 1.00 ACHE (0.56) ACHEDRD2DRD3PPARAABCB11
SCHEMBL9304573 1.00 ACHE (0.56) ACHEDRD2DRD3PPARAABCB11
Oxalic Acid SCHEMBL9306052 0.97 ACHE (0.53) ACHEDRD2DRD3PPARAABCB11
Oxalic Acid SCHEMBL9306646 0.97 ACHE (0.53) ACHEDRD2DRD3PPARAABCB11
Oxalic Acid SCHEMBL9306066 0.97 ACHE (0.53) ACHEDRD2DRD3PPARAABCB11
SCHEMBL9304578 0.84 ACHE (0.60) ACHEDRD2DRD3PPARACYP1A2
SCHEMBL9518883 0.79 ACHE (0.58) ACHEDRD2DRD3TSHR
SCHEMBL5679478 0.79 ACHE (0.58) ACHEDRD2DRD3TSHR
SCHEMBL5681817 0.79 ACHE (0.58) ACHEDRD2DRD3TSHR
SCHEMBL9515221 0.78 GRIN2B (0.50) ACHEDRD2DRD3PPARAABCB11

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 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