SCHEMBL7090955

SCHEMBL7090955

CC(C)(C)OC(=O)N1CCCC(Oc2ccccc2Br)C1.Oc1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.46
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
USP30 Q70CQ3 3/20 0.44
CHEK2 O96017 1/20 0.42
HSD11B1 P28845 1/20 0.41
FPR2 P25090 1/20 0.41
APLNR P35414 1/20 0.41
HPGDS O60760 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
KDM1A O60341 1/20 0.40
ACKR3 P25106 1/20 0.40
UCHL1 P09936 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5366144 0.95 PDE4B (0.50) PDE4BPRMT5WDR77USP30CHEK2
SCHEMBL5414961 0.95 PDE4B (0.50) PDE4BPRMT5WDR77USP30CHEK2
SCHEMBL14559939 0.95 PDE4B (0.50) PDE4BPRMT5WDR77USP30CHEK2
SCHEMBL1927899 0.88 USP30 (0.52) PDE4BPRMT5WDR77USP30GPR119
SCHEMBL3954269 0.83 USP30 (0.47) PDE4BPRMT5WDR77USP30GPR119
SCHEMBL5371739 0.82 PDE4B (0.52) PDE4BPRMT5WDR77USP30CHEK2
SCHEMBL69206 0.81 KDM1A (0.56) PDE4BGPR119KDM1A
SCHEMBL15058781 0.81 PRMT5 (0.50) PDE4BPRMT5WDR77USP30CHEK2
SCHEMBL15058778 0.81 PRMT5 (0.50) PDE4BPRMT5WDR77USP30CHEK2
SCHEMBL23754388 0.80 DGAT2 (0.57) PDE4BPRMT5WDR77USP30

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-1370558-A1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-17 EP disclosed
WO-2002059117-A1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed