SCHEMBL3157435

SCHEMBL3157435

CN(C)CCCNC(=O)OC1CCCc2sc(NC(=O)CC(C)(C)C)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
MAPT P10636 7/20 0.34
TP53 P04637 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TSHR P16473 1/20 0.32
PARP1 P09874 1/20 0.32
CSNK1D P48730 1/20 0.32
ALDH1A1 P00352 2/20 0.31
RAB9A P51151 2/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL4798058 0.84 L3MBTL1 (0.36) CNR1CNR2MAPTTP53MEN1
SCHEMBL3163687 0.82 MAPT (0.39) CNR1CNR2MAPTTP53MEN1
SCHEMBL3156739 0.79 PARP1 (0.43) CNR1CNR2MAPTTP53MEN1
SCHEMBL3157338 0.75 GPR88 (0.38) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL6210989 0.73 TSHR (0.36) MAPTTSHRPARP1RAB9ALMNA
SCHEMBL3163684 0.73 MAPT (0.41) MAPTTP53MEN1KMT2APOLB
SCHEMBL6208826 0.71 TSHR (0.34) MEN1KMT2ATSHRRAB9ALMNA
SCHEMBL4807243 0.71 PARP1 (0.47) CNR1CNR2MAPTTP53MEN1
SCHEMBL3163911 0.66 NPC1 (0.47) MEN1KMT2APOLBCSNK1DALDH1A1
SCHEMBL6209996 0.65 TSHR (0.33) TSHRPARP1

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-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP claimed
JP-2007522171-A 2007-08-09 JP claimed
EP-1716128-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-11-02 EP claimed
WO-2005077924-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2005-08-25 WO claimed
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP disclosed
EP-1716128-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-11-02 EP disclosed
WO-2005077924-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2005-08-25 WO disclosed