SCHEMBL4775162

SCHEMBL4775162

CC(=O)N(C)C1CCN(C(=O)c2[nH]c3ccccc3c2CN2CCC(c3c(F)cccc3Cl)CC2)C1.O=C(CN1CCN(C(=O)c2[nH]c3ccccc3c2CN2CCC(c3c(F)cccc3F)CC2)CC1)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.39
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TLR9 Q9NR96 3/20 0.35
TLR8 Q9NR97 3/20 0.35
TLR7 Q9NYK1 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.34
PIK3CD O00329 3/20 0.34
PIK3CA P42336 3/20 0.34
PIK3CB P42338 3/20 0.34
PIK3CG P48736 3/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4707732 0.90 KDM4E (0.39) MCL1HTTHSD17B10MEN1KMT2A
SCHEMBL4707294 0.90 HTT (0.43) MCL1HTTHSD17B10TLR9TLR8
SCHEMBL4707694 0.86 PDK2 (0.40) MCL1HTTHSD17B10MEN1KMT2A
SCHEMBL4708847 0.86 HTT (0.46) MCL1HTTHSD17B10TLR9TLR8
SCHEMBL4706833 0.84 MCL1 (0.46) MCL1HTTHSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL4520019 0.79 MCL1 (0.46) MCL1HTTHSD17B10TLR9TLR8
SCHEMBL4510893 0.78 KDM4E (0.40) MCL1HTTHSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL4516276 0.78 MCL1 (0.49) MCL1HTTHSD17B10MEN1KMT2A
SCHEMBL4778114 0.77 KDM4E (0.42) MCL1HTTMEN1KMT2AKDM4E
SCHEMBL4778117 0.77 KDM4E (0.42) MCL1HTTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008000818-A1 FLUORINATED INDOLEAMIDES USEFUL AS LIGANDS OF THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2008-01-03 WO claimed