SCHEMBL2934540

SCHEMBL2934540

Cc1cc(C)cc(CN2C(=O)C(CC(C)C)NC23CCN(C(=O)/C=C/c2ccccc2)CC3)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 2/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CCR5 P51681 4/20 0.42
GAA P10253 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 2/20 0.39
AR P10275 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CAPN1 P07384 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL1799234 1.00 GPR183 (0.44) GPR183POLBLMNAMAPTKDM4E
SCHEMBL1800991 0.81 LMNA (0.55) GPR183POLBLMNAMAPTKDM4E
SCHEMBL2938720 0.81 LMNA (0.55) GPR183POLBLMNAMAPTKDM4E
SCHEMBL1801126 0.81 CCR5 (0.37) LMNACCR5GAAKMT2AL3MBTL1
SCHEMBL1801253 0.80 CCR5 (0.36) CCR5
SCHEMBL1802066 0.80 CYP2C9 (0.41) CCR5
SCHEMBL1799403 0.77 ALDH1A1 (0.39) LMNACCR5SMN1; SMN2MEN1KMT2A
SCHEMBL1802342 0.77 KDM4E (0.39) POLBKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL1802354 0.76 KMT2A (0.42) POLBLMNAKDM4ECCR5GAA
SCHEMBL1800786 0.75 GPR183 (0.39) GPR183CCR5GAAMEN1KMT2A

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