SCHEMBL2935909

SCHEMBL2935909

CCC(CC)C(=O)N1CCC2(CC1)NC(CCSC)C(=O)N2Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
KMT2A Q03164 1/20 0.41
CCR5 P51681 8/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
USP7 Q93009 1/20 0.36
TSHR P16473 2/20 0.35
CACNA1G O43497 1/20 0.35
CCR1 P32246 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 1/20 0.34
RIPK1 Q13546 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1799344 1.00 GAA (0.41) GAAKMT2ACCR5L3MBTL1USP7
Hydrochloric Acid SCHEMBL1802741 0.99 GAA (0.41) GAAKMT2ACCR5L3MBTL1USP7
Hydrochloric Acid SCHEMBL1800382 0.99 GAA (0.41) GAAKMT2ACCR5L3MBTL1USP7
SCHEMBL3918968 0.88 GAA (0.46) GAAKMT2ACCR5TSHRCACNA1G
SCHEMBL2934997 0.88 CXCR3 (0.41) GAACCR5L3MBTL1USP7TSHR
SCHEMBL1800769 0.88 CXCR3 (0.41) GAACCR5L3MBTL1USP7TSHR
Hydrochloric Acid SCHEMBL1800156 0.87 CCR5 (0.41) GAAKMT2ACCR5L3MBTL1USP7
SCHEMBL3925963 0.85 GAA (0.47) GAAKMT2ACCR5TSHRCACNA1G
SCHEMBL4037470 0.83 GAA (0.44) GAAKMT2ACCR5L3MBTL1TSHR
SCHEMBL3919263 0.83 OPRD1 (0.44) GAAKMT2ACCR5SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP claimed
WO-2005095402-A9 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2009-06-11 WO claimed
EP-1730147-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2006-12-13 EP claimed
WO-2005095402-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2005-10-13 WO claimed
EP-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP disclosed
WO-2005095402-A9 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2009-06-11 WO disclosed
EP-1730147-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2006-12-13 EP disclosed
WO-2005095402-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2005-10-13 WO disclosed