SCHEMBL2940002

SCHEMBL2940002

CCC(CC)C(=O)N1CCC2(CC1)NC(=O)[C@@H](Cc1ccccc1)N2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.40
USP7 Q93009 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.37
LMNA P02545 3/20 0.37
GFER P55789 1/20 0.37
HDAC8 Q9BY41 2/20 0.36
USP19 O94966 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1798418 1.00 CCR5 (0.40) CCR5USP7L3MBTL1GAAALDH1A1
SCHEMBL2938331 1.00 CCR5 (0.40) CCR5USP7L3MBTL1GAAALDH1A1
Hydrochloric Acid SCHEMBL1799688 0.99 CCR5 (0.39) CCR5USP7L3MBTL1GAAALDH1A1
SCHEMBL1801535 0.85 GAA (0.51) GAAALDH1A1KMT2ALMNAGFER
SCHEMBL2936432 0.85 GAA (0.51) GAAALDH1A1KMT2ALMNAGFER
Hydrochloric Acid SCHEMBL1801502 0.84 GAA (0.50) GAAALDH1A1KMT2ALMNAGFER
SCHEMBL1800257 0.80 KMT2A (0.41) GAAALDH1A1KMT2ALMNAGFER
SCHEMBL3920513 0.80 OPRD1 (0.45) CCR5GAATSHRLMNASMN1; SMN2
SCHEMBL1801632 0.80 OPRD1 (0.45) CCR5GAATSHRLMNASMN1; SMN2
SCHEMBL1803261 0.79 USP2 (0.43) GAAALDH1A1TSHRKMT2ALMNA

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 6 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-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