SCHEMBL4001759

SCHEMBL4001759

CC(C)CC(=O)N1CCC2(CC1)[N]C(=O)C(Cc1ccccc1)N2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 7/20 0.42
GAA P10253 2/20 0.42
CYP3A4 P08684 1/20 0.42
KDM4E B2RXH2 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
RECQL P46063 1/20 0.40
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
USP7 Q93009 2/20 0.39
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL4002141 0.85 KMT2A (0.40) KMT2AMEN1ALDH1A1GAARECQL
SCHEMBL3998063 0.83 GRM5 (0.49) ALDH1A1CYP2D6
SCHEMBL4289367 0.83 CYP3A4 (0.40) KMT2AMEN1ALDH1A1GAACYP3A4
SCHEMBL5668375 0.82 MEN1 (0.45) KMT2AMEN1ALDH1A1TSHRLMNA
SCHEMBL5666899 0.82 SMN1; SMN2 (0.51) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL5667080 0.81 LMNA (0.49) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL5668605 0.80 MEN1 (0.46) KMT2AMEN1ALDH1A1KDM4ETSHR
SCHEMBL3999620 0.80 MAPK1 (0.46) KMT2AMEN1ALDH1A1CYP3A4CYP2C19
SCHEMBL4003459 0.79 CYP2C9 (0.56) KMT2AMEN1ALDH1A1KDM4ECYP2C9
SCHEMBL2938912 0.78 CYP3A4 (0.42) KMT2AMEN1ALDH1A1GAACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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