SCHEMBL5403141

SCHEMBL5403141

CC(C)(C)OC(=O)N1CCN(C(C=O)c2ccccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.53
POLB P06746 1/20 0.49
GRM5 P41594 1/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
ADORA2A P29274 3/20 0.43
ADORA2B P29275 3/20 0.43
DTYMK P23919 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL209901 0.84 GPR119 (0.53) GPR119POLBGRM5CKS1BSKP1
SCHEMBL25221384 0.84 GPR119 (0.53) GPR119POLBGRM5CKS1BSKP1
SCHEMBL9933572 0.84 GPR119 (0.53) GPR119POLBGRM5CKS1BSKP1
SCHEMBL13044640 0.82 GPR119 (0.51) GPR119POLBGRM5CKS1BSKP1
SCHEMBL5409331 0.82 GPR119 (0.48) GPR119POLBCKS1BSKP1SKP2
SCHEMBL38663417 0.81 GPR119 (0.50) GPR119POLBGRM5CKS1BSKP1
SCHEMBL1514908 0.81 GPR119 (0.50) GPR119POLBGRM5CKS1BSKP1
SCHEMBL9934875 0.81 GPR119 (0.50) GPR119POLBGRM5CKS1BSKP1
SCHEMBL3638210 0.79 GPR119 (0.47) GPR119POLBGRM5CKS1BSKP1
SCHEMBL2083282 0.78 GPR119 (0.57) GPR119ADORA2AADORA2BADORA3

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 4 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-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