SCHEMBL5769723

SCHEMBL5769723

CC(C)(C)OC(=O)NCCNCCc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TSHR P16473 1/20 0.54
NQO2 P16083 1/20 0.49
MALT1 Q9UDY8 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HIF1A Q16665 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
IDO1 P14902 4/20 0.44
CNR1 P21554 1/20 0.44
BCHE P06276 1/20 0.44
DRD2 P14416 1/20 0.43
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
KEAP1 Q14145 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
SCHEMBL1820623 0.92 LMNA (0.61) LMNAMEN1KMT2ATSHRNQO2
SCHEMBL5766456 0.89 LMNA (0.54) LMNAMEN1KMT2ATSHRNQO2
SCHEMBL26598979 0.88 NQO2 (0.48) LMNAMEN1KMT2ATSHRNQO2
SCHEMBL4708016 0.82 MEN1 (0.52) LMNAMEN1KMT2ATSHRNQO2
SCHEMBL29168148 0.81 NQO2 (0.57) LMNAMEN1KMT2ATSHRNQO2
SCHEMBL8399561 0.81 IDO1 (0.55) MALT1TAAR1GAAIDO1BCHE
SCHEMBL4706536 0.81 GAA (0.51) LMNAMEN1KMT2ATSHRNQO2
SCHEMBL26147436 0.80 NPC1 (0.60) LMNAMEN1KMT2ATSHRHPGD
SCHEMBL4628833 0.79 NQO2 (0.55) LMNAMEN1KMT2ATSHRNQO2
SCHEMBL30606607 0.79 LMNA (0.44) LMNAMEN1KMT2ATSHRNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 WO disclosed