SCHEMBL7732599

SCHEMBL7732599

CC(C)(N=C=O)c1ccccc1.CCCCCCCN=C=O.CCCCCN=C=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
EPHX2 P34913 2/20 0.33
MIF P14174 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PKM P14618 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL8678977 0.90 NAAA (0.34) NAAA
SCHEMBL11749127 0.84 NAAA (0.38) NAAAMAOAMAOBEPHX2MIF
SCHEMBL11746126 0.84 NAAA (0.38) NAAAMAOAMAOBEPHX2MIF
SCHEMBL11744434 0.84 NAAA (0.38) NAAAMAOAMAOBEPHX2MIF
SCHEMBL11750052 0.84 NAAA (0.38) NAAAMAOAMAOBEPHX2MIF
SCHEMBL11749944 0.84 NAAA (0.38) NAAAMAOAMAOBEPHX2MIF
SCHEMBL11747194 0.84 NAAA (0.38) NAAAMAOAMAOBEPHX2MIF
SCHEMBL11748918 0.84 NAAA (0.38) NAAAMAOAMAOBEPHX2MIF
SCHEMBL11746993 0.84 NAAA (0.38) NAAAMAOAMAOBEPHX2MIF
SCHEMBL11746286 0.84 NAAA (0.38) NAAAMAOAMAOBEPHX2MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015479-A4 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR LILLY CO ELI (US) 2002-07-24 EP disclosed
EP-1015479-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
EP-0973936-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
WO-1998057173-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PHENYLALANINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-12-17 WO disclosed
WO-1998046631-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998008839-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed