SCHEMBL8569271

SCHEMBL8569271

CC(C)(C)OC(=O)N[C@]1(OC(=O)OC(C)(C)C)CCc2cccc(O)c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.39
HTR1A P08908 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
HSD11B1 P28845 4/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
EPHX2 P34913 1/20 0.32
BCL2L1 Q07817 1/20 0.32
BAD Q92934 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
CHRM3 P20309 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL8560312 0.94 GHSR (0.39) GHSRHTR1AHTR1BHTR2AHTR2C
SCHEMBL8559137 0.94 GHSR (0.39) GHSRHTR1AHTR1BHTR2AHTR2C
SCHEMBL8569372 0.91 GHSR (0.39) GHSRHTR1AHTR1BHTR2AHTR2C
SCHEMBL8576152 0.91 GHSR (0.39) GHSRHTR1AHTR1BHTR2AHTR2C
SCHEMBL8561322 0.87 SYK (0.40) GHSRHTR1AHTR1BHTR2AHTR2C
SCHEMBL1162415 0.81 GHSR (0.48) GHSRHTR1AHTR1BHTR2AHTR2C
SCHEMBL1162409 0.81 GHSR (0.48) GHSRHTR1AHTR1BHTR2AHTR2C
SCHEMBL8581652 0.81 GHSR (0.48) GHSRHTR1AHTR1BHTR2AHTR2C
SCHEMBL7923515 0.80 GHSR (0.42) GHSRHTR1AHTR1BHTR2AHTR2C
SCHEMBL12873724 0.79 GHSR (0.40) GHSRHTR1AHTR1BHTR2AHTR2C

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
EP-0640618-B1 Tetrahydronaphthalene-peptide derivatives HOFFMANN LA ROCHE (CH) 1999-10-20 EP disclosed
EP-0729972-A1 Peptide derivatives of tetrahydronaphthalene F. HOFFMANN-LA ROCHE AG (CH) 1996-09-04 EP disclosed
EP-0640618-A1 Tetrahydronaphthalene-peptide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-03-01 EP disclosed