SCHEMBL4003425

SCHEMBL4003425

O=C1[N]C2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)NC1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.44
HTR1A P08908 3/20 0.44
POLB P06746 1/20 0.43
PKM P14618 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ADRA1A P35348 1/20 0.41
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41

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
SCHEMBL4001386 0.87 MEN1 (0.42) KMT2AMEN1LMNA
SCHEMBL5671665 0.87 NPC1 (0.51) KMT2AMEN1HPGDPOLBALDH1A1
SCHEMBL3999620 0.86 MAPK1 (0.46) KMT2AMEN1HPGDHTR1APOLB
SCHEMBL3997334 0.84 MGLL (0.47) KMT2AMEN1HPGDALDH1A1
SCHEMBL5666076 0.83 KMT2A (0.48) KMT2AMEN1PKMLMNA
SCHEMBL5666405 0.82 CYP3A4 (0.58) HPGDPOLBALDH1A1LMNAGAA
SCHEMBL3997343 0.82 NAMPT (0.42) KMT2AMEN1ALDH1A1LMNA
SCHEMBL4000176 0.82 CA1 (0.59)
SCHEMBL5666367 0.80 ALDH1A1 (0.53) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL2942653 0.80 HPGD (0.42) KMT2AMEN1HPGDHTR1APOLB

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 4 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
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