SCHEMBL8552979

SCHEMBL8552979

CCCCOC(=O)N1CCCC(CCCc2cccc3[nH]c(COc4cccc(C(F)(F)F)c4)nc23)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CACNA1B Q00975 2/20 0.40
CYP2D6 P10635 1/20 0.39
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
PIK3CD O00329 1/20 0.34
MCL1 Q07820 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
BRS3 P32247 1/20 0.34
FAAH O00519 1/20 0.33
REN P00797 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CACNA1H O95180 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
SCHEMBL8553272 0.82 MGLL (0.35) PIK3CD
SCHEMBL8550682 0.79 DGAT2 (0.44) HRH3
SCHEMBL8555474 0.79 DGAT2 (0.36) NPC1PPARGPPARAFAAH
SCHEMBL8551914 0.77 PARP1 (0.39) CYP2D6GAA
SCHEMBL8556963 0.76 DGAT2 (0.41) NPC1RAB9AKDM4EALDH1A1
SCHEMBL8552606 0.76 DGAT2 (0.43) HRH3
SCHEMBL8555907 0.75 CHEK2 (0.43)
SCHEMBL8555463 0.74 GPR119 (0.40)
SCHEMBL8551701 0.73 DGAT2 (0.39) NPC1RAB9A
SCHEMBL13107013 0.71 NPC1 (0.55) NPC1RAB9AKMT2AMEN1ALDH1A1

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-0871442-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-10-21 EP disclosed
WO-1997025041-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed