SCHEMBL8074255

SCHEMBL8074255

COc1cccc2c1C[C@H](NC(=O)OC(C)(C)C)CC2

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.73
MTNR1B P49286 8/20 0.73
CYP1A2 P05177 1/20 0.68
MAPT P10636 1/20 0.68
CYP2C9 P11712 1/20 0.68
ALOX15 P16050 1/20 0.68
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
ACHE P22303 2/20 0.58
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
EPHX2 P34913 1/20 0.48

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
SCHEMBL14591344 0.85 MTNR1A (0.52) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL1965788 0.85 MTNR1A (0.52) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL14893577 0.85 MTNR1A (0.52) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL3919777 0.84 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL14904932 0.83 MTNR1A (0.50) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL4217159 0.82 MTNR1A (0.73) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL81120 0.82 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL29565539 0.81 MTNR1A (0.66) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3682479 0.81 MTNR1A (0.66) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL9731258 0.81 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9

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-0683236-B1 Enzymatic process for the preparation of optical active tetralin-derivatives SANOFI SYNTHELABO (FR) 2000-08-09 EP disclosed
US-5719308-A Enzymatic process for the preparation of optically active tetralin derivatives SANOFI (FR) 1998-02-17 US disclosed
US-5573949-A Enzymatic process for the preparation of optically active Tetrahydro-2-naphthoic acids SANOFI (FR) 1996-11-12 US disclosed
EP-0683236-A1 Enzymatic process for the preparation of optical active tetralin-derivatives SANOFI (FR) 1995-11-22 EP disclosed