SCHEMBL9443702

SCHEMBL9443702

CCOC(=O)COc1ccc2c(c1)CC(NCc1ccccc1)CC2

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 3/20 0.56
GRIN2B Q13224 3/20 0.52
NPY5R Q15761 1/20 0.49
ADRB1 P08588 1/20 0.49
POLB P06746 1/20 0.48
DRD2 P14416 4/20 0.46
DRD3 P35462 3/20 0.46
HTR1D P28221 1/20 0.45

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 SCHEMBL9443699 0.99 ADRB3 (0.56) ADRB3GRIN2BNPY5RADRB1POLB
SCHEMBL5143758 0.94 ADRB3 (0.64) ADRB3GRIN2BNPY5RADRB1POLB
SCHEMBL8765648 0.94 ADRB3 (0.64) ADRB3GRIN2BNPY5RADRB1POLB
SCHEMBL8766365 0.93 ADRB3 (0.61) ADRB3GRIN2BNPY5RADRB1POLB
Hydrochloric Acid SCHEMBL8765375 0.93 ADRB3 (0.63) ADRB3GRIN2BNPY5RADRB1POLB
Hydrochloric Acid SCHEMBL8765363 0.93 ADRB3 (0.63) ADRB3GRIN2BNPY5RADRB1POLB
Hydrochloric Acid SCHEMBL8765990 0.93 ADRB3 (0.63) ADRB3GRIN2BNPY5RADRB1POLB
SCHEMBL8765124 0.90 ADRB3 (0.59) ADRB3GRIN2BNPY5RPOLB
SCHEMBL9513692 0.89 BRD4 (0.50) ADRB3GRIN2BDRD2DRD3
SCHEMBL9513902 0.89 GRIN2B (0.48) ADRB3GRIN2BDRD2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347313-B1 2-Amino-7-hydroxytetraline ethers SANOFI ELF (FR) 1993-12-15 EP claimed
US-5202466-A 2-amino-7-hydroxytetraline ethers SANOFI (FR) 1993-04-13 US claimed
EP-0347313-A2 2-Amino-7-hydroxytetraline ethers ELF SANOFI (FR) 1989-12-20 EP claimed
EP-0347313-B1 2-Amino-7-hydroxytetraline ethers SANOFI ELF (FR) 1993-12-15 EP disclosed
EP-0347313-A2 2-Amino-7-hydroxytetraline ethers ELF SANOFI (FR) 1989-12-20 EP disclosed