SCHEMBL7363210

SCHEMBL7363210

COc1ccc2c(c1O)CCC(C(=O)O)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
DRD1 P21728 7/20 0.43
DRD2 P14416 4/20 0.43
F3 P13726 4/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CASP1 P29466 1/20 0.42
CYP2C19 P33261 1/20 0.42
APAF1 O14727 1/20 0.42
BCHE P06276 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
EPHX2 P34913 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40
ADRA1A P35348 1/20 0.39

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
SCHEMBL8080874 0.81 MTNR1A (0.61) CYP1A2DRD2MTNR1AMTNR1BEPHX2
SCHEMBL8605995 0.81 MTNR1A (0.61) CYP1A2DRD2MTNR1AMTNR1BEPHX2
SCHEMBL7778584 0.81 MTNR1A (0.61) CYP1A2DRD2MTNR1AMTNR1BEPHX2
SCHEMBL15910983 0.80 CYP1A2 (0.81) CYP1A2MTNR1AMTNR1BEPHX2CA1
SCHEMBL31143027 0.74 CYP1A2 (0.67) CYP1A2LMNAMTNR1AMTNR1BEPHX2
SCHEMBL7333054 0.74 MTNR1A (0.63) CYP1A2DRD2MTNR1AMTNR1BCA1
SCHEMBL7333056 0.74 MTNR1A (0.63) CYP1A2DRD2MTNR1AMTNR1BCA1
SCHEMBL8080856 0.74 CYP1A2 (0.62) CYP1A2MTNR1AMTNR1BEPHX2CA1
SCHEMBL8079530 0.74 CYP1A2 (0.62) CYP1A2MTNR1AMTNR1BEPHX2CA1
SCHEMBL345918 0.74 CYP1A2 (0.62) CYP1A2MTNR1AMTNR1BEPHX2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788472-B1 A PROCESS FOR THE PREPARATION OF 5,6-DIHYDROXY-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES CHIESI FARMA SPA (IT) 2000-08-02 EP disclosed
US-6034277-A Process for the preparation of 5,6-dihydroxy-2-amino-1,2,3,4-tetrahydronaphthalene derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2000-03-07 US disclosed
US-5936125-A Process for the preparation of 5,6-dihydroxy-2-amino-1,2,3,4-tetrahydronaphthalene derivatives CHIESI FARMACEUTICI S.P.A. (IT) 1999-08-10 US disclosed
US-5710336-A Process for the preparation of 5-6-dihydroxy-2-amino-1, 2, 3, 4-tetrahydronaphthalene derivatives CHIESI FARMACEUTICI S.P.A. (IT) 1998-01-20 US disclosed
EP-0788472-A1 A PROCESS FOR THE PREPARATION OF 5,6-DIHYDROXY-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES CHIESI FARMACEUTICI S.p.A. (IT) 1997-08-13 EP disclosed
WO-1995029147-A1 A PROCESS FOR THE PREPARATION OF 5,6-DIHYDROXY-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 1995-11-02 WO disclosed