SCHEMBL5736874

SCHEMBL5736874

CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.64
GAA P10253 2/20 0.57
CNR1 P21554 3/20 0.56
STS P08842 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
NPSR1 Q6W5P4 2/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 1/20 0.52
PKM P14618 1/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
F13A1 P00488 1/20 0.50
TGM2 P21980 1/20 0.50
TGM1 P22735 1/20 0.50

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
SCHEMBL5202414 0.91 STS (0.57) F10STSF13A1TGM2TGM1
SCHEMBL6787216 0.90 KMT2A (0.65) F10GAASMN1; SMN2KMT2AHTT
SCHEMBL6979984 0.87 GAA (0.74) GAACNR1STSSMN1; SMN2NPSR1
SCHEMBL5734964 0.87 FNTA (0.52) F10GAASTSSMN1; SMN2KMT2A
SCHEMBL5734088 0.87 F10 (0.59) F10GAACNR1SMN1; SMN2NPSR1
SCHEMBL6982617 0.86 GAA (0.65) GAACNR1STSNPSR1KMT2A
SCHEMBL6193515 0.86 F10 (0.51) F10GAASTSSMN1; SMN2KMT2A
SCHEMBL5733446 0.85 F10 (0.57) F10GAACNR1SMN1; SMN2NPSR1
SCHEMBL5735808 0.85 F10 (0.57) F10GAACNR1SMN1; SMN2NPSR1
SCHEMBL5733444 0.85 F10 (0.57) F10GAACNR1SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986551-B1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2006-08-02 EP disclosed
EP-0844877-B1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ASTRAZENECA AB (SE) 2005-01-26 EP disclosed
EP-1140839-B1 HETEROCYCLIC AMIDES AS INHIBITORS OF FACTOR XA LILLY CO ELI (US) 2004-03-17 EP disclosed
US-6660739-B1 Heterocyclic amides as inhibitors of factor Xa ELI LILLY AND COMPANY 2003-12-09 US disclosed
US-6359134-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-19 US disclosed
EP-1140839-A1 HETEROCYCLIC AMIDES AS INHIBITORS OF FACTOR XA ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
US-6090813-A Use of oxido-squalene cyclase inhibitors to lower blood cholesterol ZENECA LIMITED (GB) 2000-07-18 US disclosed
WO-2000039092-A1 HETEROCYCLIC AMIDES AS INHIBITORS OF FACTOR Xa ELI LILLY AND COMPANY (US) 2000-07-06 WO disclosed
EP-0925286-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1999-06-30 EP disclosed
EP-0844877-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1998-06-03 EP disclosed
WO-1998006705-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1998-02-19 WO disclosed
WO-1997006802-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1997-02-27 WO disclosed