SCHEMBL9514827

SCHEMBL9514827

CCOC(=O)C(C)(C)Oc1ccc2c(c1)C[C@@H](NCc1ccccc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.50
DRD2 P14416 4/20 0.46
DRD3 P35462 3/20 0.46
HTR1D P28221 1/20 0.46
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
ACHE P22303 1/20 0.43
FYN P06241 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ABCB11 O95342 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
PMP22 Q01453 1/20 0.41
GRIN1 Q05586 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41

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
SCHEMBL9304521 1.00 GRIN2B (0.50) GRIN2BDRD2DRD3HTR1DPPARG
SCHEMBL9515221 1.00 GRIN2B (0.50) GRIN2BDRD2DRD3HTR1DPPARG
Hydrochloric Acid SCHEMBL9305478 0.99 GRIN2B (0.49) GRIN2BDRD2DRD3HTR1DPPARG
Hydrochloric Acid SCHEMBL9305469 0.99 GRIN2B (0.49) GRIN2BDRD2DRD3HTR1DPPARG
Oxalic Acid SCHEMBL9303696 0.98 GRIN2B (0.48) GRIN2BDRD2DRD3HTR1DPPARG
SCHEMBL8765893 0.94 ADRB3 (0.46) GRIN2BDRD2DRD3HTR1DPPARG
SCHEMBL9305365 0.89 GRIN2B (0.55) GRIN2BDRD2DRD3HTR1DACHE
SCHEMBL8765323 0.83 MAPK1 (0.47) GRIN2BDRD2DRD3HTR1DACHE
SCHEMBL9443702 0.82 ADRB3 (0.56) GRIN2BDRD2DRD3HTR1D
SCHEMBL9513685 0.82 GRIN2B (0.51) GRIN2BDRD2DRD3HTR1DACHE

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 1 patent. 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 disclosed