SCHEMBL7543711

SCHEMBL7543711

COc1cccc2c1C[C@@H](NCc1ccccc1)CC2

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.83
GRIN2B Q13224 2/20 0.63
MTNR1A P48039 3/20 0.59
MTNR1B P49286 3/20 0.59
DRD3 P35462 3/20 0.59
DRD4 P21917 2/20 0.59
CYP1A2 P05177 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX15 P16050 1/20 0.57

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
SCHEMBL8074280 1.00 DRD2 (0.83) DRD2GRIN2BMTNR1AMTNR1BDRD3
SCHEMBL8074250 1.00 DRD2 (0.83) DRD2GRIN2BMTNR1AMTNR1BDRD3
Hydrochloric Acid SCHEMBL8604442 0.99 DRD2 (0.81) DRD2GRIN2BMTNR1AMTNR1BDRD3
Hydrochloric Acid SCHEMBL7932989 0.99 DRD2 (0.81) DRD2GRIN2BMTNR1AMTNR1BDRD3
SCHEMBL5146494 0.94 DRD2 (0.74) DRD2GRIN2BMTNR1AMTNR1BDRD3
SCHEMBL3320662 0.91 DRD2 (1.00) DRD2GRIN2BMTNR1AMTNR1BDRD3
SCHEMBL339286 0.91 DRD2 (1.00) DRD2GRIN2BMTNR1AMTNR1BDRD3
SCHEMBL29354627 0.91 DRD2 (1.00) DRD2GRIN2BMTNR1AMTNR1BDRD3
SCHEMBL15474018 0.91 DRD2 (1.00) DRD2GRIN2BMTNR1AMTNR1BDRD3
SCHEMBL338733 0.91 DRD2 (1.00) DRD2GRIN2BMTNR1AMTNR1BDRD3

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-0883599-B1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ASTRAZENECA AB (SE) 2002-06-05 EP disclosed
EP-0883599-A1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ZENECA LIMITED (GB) 1998-12-16 EP disclosed
US-5807897-A MUSCULAR DISORDERS ZENECA LIMITED (GB) 1998-09-15 US disclosed
WO-1997031887-A1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ZENECA LIMITED (GB) 1997-09-04 WO disclosed