SCHEMBL6651228

SCHEMBL6651228

COC(=O)C1Cc2cc(OC)c(OC)cc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.62
PDE4B Q07343 3/20 0.50
PDE4D Q08499 2/20 0.50
HDAC8 Q9BY41 7/20 0.46
ACE P12821 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
AGTR2 P50052 1/20 0.41

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
SCHEMBL539175 0.88 PTPN1 (0.64) PTPN1HDAC8NR1H2NR1H3
SCHEMBL5204183 0.88 AGTR2 (0.51) PTPN1PDE4BHDAC8ACEAGTR2
SCHEMBL7229378 0.88 AGTR2 (0.51) PTPN1PDE4BHDAC8ACEAGTR2
SCHEMBL540060 0.88 PTPN1 (0.64) PTPN1HDAC8NR1H2NR1H3
SCHEMBL6951953 0.85 PDE4B (0.52) PTPN1PDE4BPDE4DHDAC8AGTR2
SCHEMBL19329100 0.84 PTPN1 (0.71) PTPN1HDAC8
SCHEMBL7536598 0.84 PTPN1 (0.71) PTPN1HDAC8
SCHEMBL1201702 0.84 PTPN1 (0.65) PTPN1HDAC8
SCHEMBL23329941 0.83 PTPN1 (0.58) PTPN1PDE4BPDE4DHDAC8NR1H2
SCHEMBL539676 0.83 PTPN1 (0.58) PTPN1HDAC8NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149079-B1 TETRAHYDRO ISOQUINO LINEALKANOL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SK CORP (KR) 2004-04-21 EP disclosed
CN-1142913-C Tetrahydroisoquinolinealkanol derivatives and pharmaceutical compositions contg. same SK��ʽ���� 2004-03-24 CN disclosed
CN-1334804-A Tetrahydroisoquinolinealkanol derivatives and pharmaceutical compositions contg. same SK CORP (KR) 2002-02-06 CN disclosed
EP-1149079-A1 TETRAHYDRO ISOQUINO LINEALKANOL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SK Corporation (KR) 2001-10-31 EP disclosed
US-6172081-B1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS; NON-INSULIN DEPENDENT DIABETES NOVARTIS AG (CH) 2001-01-09 US disclosed
WO-2000046204-A1 TETRAHYDRO ISOQUINO LINEALKANOL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SK CORPORATION (KR) 2000-08-10 WO disclosed
US-5955471-A USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, INCLUDING DEPRESSION SK CORPORATION (US) 1999-09-21 US disclosed