SCHEMBL6649282

SCHEMBL6649282

NC(=O)OC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
F10 P00742 7/20 0.51
PTPN1 P18031 1/20 0.48
HDAC8 Q9BY41 1/20 0.46
NR1D1 P20393 1/20 0.45
PREP P48147 2/20 0.45
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6649287 1.00 NPSR1 (0.56) NPSR1F10PTPN1HDAC8NR1D1
SCHEMBL1049445 0.86 NPSR1 (0.63) NPSR1F10PTPN1HDAC8NR1D1
SCHEMBL30314166 0.85 NPSR1 (0.62) NPSR1F10PTPN1
SCHEMBL29401156 0.85 NPSR1 (0.62) NPSR1F10PTPN1
SCHEMBL14862925 0.85 NPSR1 (0.62) NPSR1F10PTPN1
SCHEMBL1052393 0.85 NPSR1 (0.62) NPSR1F10PTPN1
SCHEMBL3629346 0.85 NPSR1 (0.62) NPSR1F10PTPN1
SCHEMBL9252347 0.84 NPSR1 (0.58) NPSR1F10PTPN1HDAC8NR1D1
SCHEMBL28564714 0.83 NPSR1 (0.60) NPSR1F10PTPN1HDAC8PREP
SCHEMBL9591709 0.80 NPSR1 (0.59) NPSR1F10PTPN1HDAC8PREP

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-1149079-B1 TETRAHYDRO ISOQUINO LINEALKANOL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SK CORP (KR) 2004-04-21 EP disclosed
EP-1149079-A1 TETRAHYDRO ISOQUINO LINEALKANOL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SK Corporation (KR) 2001-10-31 EP 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