SCHEMBL6629689

SCHEMBL6629689

COC1(OC)CCc2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.53
HTR2A P28223 9/20 0.53
HTR2C P28335 9/20 0.53
HTR2B P41595 9/20 0.53
DRD2 P14416 9/20 0.44
MAPT P10636 4/20 0.44
CES1 P23141 1/20 0.44
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
CYP2A6 P11509 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL6112888 0.90 SIGMAR1 (0.46) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL1793005 0.81 L3MBTL1 (0.46) SIGMAR1HTR2AHTR2CHTR2BMAPT
SCHEMBL29498104 0.81 L3MBTL1 (0.46) SIGMAR1HTR2AHTR2CHTR2BMAPT
SCHEMBL8000235 0.81 SIGMAR1 (0.49) SIGMAR1HTR2AHTR2CHTR2BDRD2
Hydrochloric Acid SCHEMBL6600350 0.80 L3MBTL1 (0.45) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL15903298 0.79 SIGMAR1 (0.50) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL3054003 0.76 SIGMAR1 (0.57) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL29447988 0.76 SIGMAR1 (0.57) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL11242114 0.75 SIGMAR1 (0.53) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL14358027 0.74 SIGMAR1 (0.56) SIGMAR1HTR2AHTR2CHTR2BDRD2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101885674-A Preparation method of 5,8-dimethoxy-2-tetralin ketone GANSU HAOTIAN CHEMEXPRESS CO LTD 2010-11-17 CN disclosed
CN-1209353-C Estrogen agonist/antagonist metabolites PFIZER PROD INC (US) 2005-07-06 CN disclosed
EP-0942722-B1 TETRAHYDRO-BETA-CARBOLINE COMPOUNDS LILLY CO ELI (US) 2004-05-19 EP disclosed
CN-1137085-C Process for preparation of 5,6-dihydroxyl-2-amino-1,2,3,4-tetrahydronaphthalene derivatives ������˹ҩƷ��˾ 2004-02-04 CN disclosed
CN-1422263-A Estrogen agonist/antagonist metabolites PFIZER PROD INC (US) 2003-06-04 CN disclosed
EP-0942722-A4 TETRAHYDRO-BETA-CARBOLINE COMPOUNDS LILLY CO ELI (US) 2002-06-05 EP disclosed
CN-1073984-C Process for preparing 5, 6-dihydroxy-2-amino-1, 2,3, 4-tetrahydronaphthalene derivatives CHIESI FARMA SPA (IT) 2001-10-31 CN disclosed
CN-1278526-A Process for preparation of 5,6-dihydroxyl-2-amino-1,2,3,4-tetrahydronaphthalene derivatives CHIESI PHARMACEUTICAL S P A (IT) 2001-01-03 CN disclosed
CN-1278527-A Process for preparation of 5,6-dihydrxyl-2-amino-1,2,3,4-tetrahydronaphthalene derivatives CHIESI PHARMACEUTICAL S P A (IT) 2001-01-03 CN disclosed
CN-1278528-A Process for preparation of 5,6-dihydroxyl-2-amino-1,2,3,4-tetrahydronaphthalene derivatives CHIESI PHARMACEUTICAL S P A (IT) 2001-01-03 CN disclosed
WO-1997035578-A1 TETRAHYDRO-BETA-CARBOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 1997-10-02 WO disclosed
WO-1997035479-A1 METHODS OF TREATING VENOMOUS BITES AND STINGS ELI LILLY AND COMPANY (US) 1997-10-02 WO disclosed
EP-0797995-A2 Use of a 5-HT2 receptor antagonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis ELI LILLY AND COMPANY (US) 1997-10-01 EP disclosed
EP-0797994-A2 Use of one or more 5-HT2 receptor antagonists in the manufacture of a medicament for treating the symptoms of venomous bites and stings ELI LILLY AND COMPANY (US) 1997-10-01 EP disclosed
CN-1147808-A Process for preparing 5, 6-dihydroxy-2-amino-1, 2, 3, 4-tetrahydronaphthalene derivatives CHIESI FARMA SPA (IT) 1997-04-16 CN disclosed
CN-1124489-A Tetracyclic compounds as dopamine agonists ABBOTT LAB (US) 1996-06-12 CN disclosed
EP-0343830-B1 Ring-substituted 2-amino-1,2,3,4-tetrahydronaphthalenes LILLY CO ELI (US) 1994-07-13 EP disclosed
WO-1994007863-A1 OCTAHYDRONAPHTHOQUINOLIZINES, AND METHODS OF MAKING AND USING THEREOF NEW YORK UNIVERSITY (US) 1994-04-14 WO disclosed
US-5026707-A Antiserotonine agents ELI LILLY AND COMPANY (US) 1991-06-25 US disclosed
EP-0343830-A2 Ring-substituted 2-amino-1,2,3,4-tetrahydronaphthalenes ELI LILLY AND COMPANY (US) 1989-11-29 EP disclosed