SCHEMBL6135909

SCHEMBL6135909

CC(C)([CH]C(=O)N1CCN(Cc2ccccc2)CC1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KMT2A Q03164 4/20 0.55
LMNA P02545 4/20 0.55
MEN1 O00255 3/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
MAPK1 P28482 2/20 0.51
GPR183 P32249 1/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 1/20 0.50
TSHR P16473 2/20 0.49
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.49
FAAH O00519 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL3318519 0.93 FAAH (0.53) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL3320695 0.86 MC4R (0.59) KMT2AMEN1FAAH
SCHEMBL3315585 0.86 KDM4E (0.54) ALDH1A1LMNAKDM4E
SCHEMBL3320541 0.84 TSHR (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL3319290 0.84 FAAH (0.49) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL3319749 0.83 FAAH (0.55) ALDH1A1HTTFAAH
SCHEMBL3317749 0.81 HRH3 (0.60) KMT2AMEN1SMN1; SMN2TSHRGAA
SCHEMBL3321521 0.80 COMT (0.41) ALDH1A1GPR183KDM4E
SCHEMBL4956138 0.80 LMNA (0.58) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL3319429 0.79 ALDH1A1 (0.58) ALDH1A1KMT2ALMNAMEN1SMN1; 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
US-6908911-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-06-21 US claimed
EP-1210330-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-04-20 EP claimed
EP-1210330-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-06-05 EP claimed
WO-2001010835-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 WO claimed
US-6908911-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-06-21 US disclosed
EP-1210330-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-04-20 EP disclosed
EP-1210330-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-06-05 EP disclosed
WO-2001010835-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 WO disclosed