SCHEMBL8550495

SCHEMBL8550495

CC(C)COC(=O)N1CCCC(CCCO)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
DGAT2 Q96PD7 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HSD11B1 P28845 1/20 0.36
NPC1 O15118 1/20 0.35
NR2F2 P24468 1/20 0.35
LIPE Q05469 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 2/20 0.34
AKR1C3 P42330 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL8554848 0.88 RAB9A (0.45) RAB9ADGAT2JAK2JAK1MEN1
SCHEMBL4066696 0.86 RAB9A (0.50) RAB9ADGAT2JAK2JAK1MEN1
SCHEMBL9218294 0.86 THRB (0.46) HTTTSHRALDH1A1GAA
Bromide SCHEMBL8554846 0.85 RAB9A (0.47) RAB9ADGAT2JAK2JAK1MEN1
SCHEMBL4594562 0.83 RAB9A (0.43) RAB9AJAK2JAK1MEN1HPGD
SCHEMBL4687840 0.82 RAB9A (0.49) RAB9ADGAT2JAK2JAK1MEN1
SCHEMBL5262093 0.82 RAB9A (0.49) RAB9ADGAT2JAK2JAK1MEN1
SCHEMBL8800263 0.82 POLB (0.46) MEN1KMT2ANPC1NR2F2ALDH1A1
SCHEMBL8800068 0.82 POLB (0.46) MEN1KMT2ANPC1NR2F2ALDH1A1
SCHEMBL8800555 0.82 POLB (0.46) MEN1KMT2ANPC1NR2F2ALDH1A1

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