SCHEMBL5409331

SCHEMBL5409331

CC(C)(C)OC(=O)N1CCN(C(C=O)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.48
GLS O94925 1/20 0.48
ATM Q13315 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MGLL Q99685 1/20 0.46
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4013471 0.83 KMT2A (0.67) GPR119KMT2AMEN1MGLLNPC1
SCHEMBL3805489 0.82 CYP2D6 (0.57) GPR119GLSATMCHRM2CHRM4
SCHEMBL8115616 0.82 CYP2D6 (0.57) GPR119GLSATMCHRM2CHRM4
SCHEMBL5403141 0.82 GPR119 (0.53) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL1852622 0.81 GLS (0.57) GPR119GLSATMCHRM2CHRM4
SCHEMBL28714150 0.81 GPR119 (0.50) GPR119GLSATMCHRM2CHRM4
SCHEMBL5410711 0.79 ATM (0.50) GPR119GLSATMCHRM2CHRM4
SCHEMBL21384646 0.79 ATM (0.50) GPR119GLSATMCHRM2CHRM4
SCHEMBL7985622 0.79 GAA (0.50) GPR119GLSATMCHRM2CHRM4
SCHEMBL5413838 0.79 GPR119 (0.47) GPR119GLSCHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed
US-20040116699-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-06-17 US disclosed
EP-1358163-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-11-05 EP disclosed
WO-2002059095-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed