SCHEMBL8554848

SCHEMBL8554848

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
DGAT2 Q96PD7 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HSD11B1 P28845 1/20 0.35
HTT P42858 1/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
GLS O94925 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL8550495 0.88 RAB9A (0.46) RAB9ADGAT2JAK2JAK1MEN1
Bromide SCHEMBL8554846 0.84 RAB9A (0.47) RAB9ADGAT2JAK2JAK1MEN1
SCHEMBL4066696 0.82 RAB9A (0.50) RAB9ADGAT2JAK2JAK1MEN1
SCHEMBL7838748 0.82 POLB (0.45) MEN1HPGDKMT2AALDH1A1THRB
SCHEMBL5262093 0.81 RAB9A (0.49) RAB9ADGAT2JAK2JAK1MEN1
SCHEMBL4687840 0.81 RAB9A (0.49) RAB9ADGAT2JAK2JAK1MEN1
SCHEMBL1840508 0.80 GPR119 (0.42) RAB9AHRH3HSD11B1GAATHRB
SCHEMBL8555472 0.80 RAB9A (0.43) RAB9ADGAT2JAK2JAK1HPGD
SCHEMBL7686514 0.79 GLS (0.51) MEN1HPGDKMT2AALDH1A1GLS
SCHEMBL6959152 0.79 GLS (0.51) MEN1HPGDKMT2AALDH1A1GLS

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