SCHEMBL9515249

SCHEMBL9515249

COc1ccc2c(c1)C[C@@H](NCc1ccccc1)CC2

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.67
DRD3 P35462 3/20 0.67
GRIN2B Q13224 6/20 0.66
GRIN1 Q05586 1/20 0.63
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
ACHE P22303 2/20 0.54
HTR1A P08908 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
FYN P06241 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL9516292 1.00 DRD2 (0.67) DRD2DRD3GRIN2BGRIN1KMT2A
SCHEMBL355042 1.00 DRD2 (0.67) DRD2DRD3GRIN2BGRIN1KMT2A
Hydrochloric Acid SCHEMBL8767433 0.99 DRD2 (0.65) DRD2DRD3GRIN2BGRIN1KMT2A
Hydrochloric Acid SCHEMBL9304463 0.99 DRD2 (0.65) DRD2DRD3GRIN2BGRIN1KMT2A
Hydrochloric Acid SCHEMBL9305508 0.99 DRD2 (0.65) DRD2DRD3GRIN2BGRIN1KMT2A
SCHEMBL12524812 0.95 GRIN2B (0.66) DRD2DRD3GRIN2BGRIN1KMT2A
SCHEMBL8765599 0.93 DRD2 (0.57) DRD2DRD3GRIN2BGRIN1KMT2A
SCHEMBL5143730 0.93 DRD2 (0.57) DRD2DRD3GRIN2BGRIN1KMT2A
Hydrochloric Acid SCHEMBL8765371 0.91 DRD2 (0.56) DRD2DRD3GRIN2BGRIN1KMT2A
Hydrochloric Acid SCHEMBL8765358 0.91 DRD2 (0.56) DRD2DRD3GRIN2BGRIN1KMT2A

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 4 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 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
EP-0347313-A2 2-Amino-7-hydroxytetraline ethers ELF SANOFI (FR) 1989-12-20 EP disclosed