SCHEMBL9513722

SCHEMBL9513722

CCOC(=O)C(CC)Oc1ccc2c(c1)CC(NCC(O)c1cccc(Cl)c1)CC2

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.69
ADRB1 P08588 3/20 0.69

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 SCHEMBL9306877 0.99 ADRB3 (0.68) ADRB3ADRB1
SCHEMBL9006697 0.93 ADRB3 (0.67) ADRB3ADRB1
SCHEMBL9514764 0.92 ADRB3 (0.65) ADRB3ADRB1
SCHEMBL4640095 0.91 ADRB3 (0.73) ADRB3ADRB1
SCHEMBL7561289 0.91 ADRB3 (0.73) ADRB3ADRB1
Hydrochloric Acid SCHEMBL9304270 0.91 ADRB3 (0.65) ADRB3ADRB1
SCHEMBL18086461 0.88 ADRB3 (0.71) ADRB3ADRB1
SCHEMBL9513938 0.87 ADRB3 (0.72) ADRB3ADRB1
Amibegron SCHEMBL3824162 0.86 ADRB3 (0.91) ADRB3ADRB1
Amibegron SCHEMBL5200899 0.86 ADRB3 (0.91) ADRB3ADRB1

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-0383686-B1 2-AMINO-7-HYDROXYTETRALINE CARBOXYALKYL ETHERS ELF SANOFI (FR) 1993-08-04 EP claimed
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