SCHEMBL6777844

SCHEMBL6777844

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=O)NC(C)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
TLR7 Q9NYK1 10/20 0.42
TLR8 Q9NR97 7/20 0.40
BMP1 P13497 2/20 0.38
NUDT1 P36639 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
LTC4S Q16873 1/20 0.37

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
SCHEMBL6776799 0.86 TLR7 (0.39) TLR7TLR8NUDT1
SCHEMBL6779814 0.82 FAAH (0.47) TLR7TLR8NUDT1
SCHEMBL6777954 0.81 TLR7 (0.41) TLR7TLR8NUDT1
SCHEMBL6775141 0.80 TLR7 (0.51) TLR7TLR8NUDT1
SCHEMBL6779049 0.80 DRD2 (0.45) TLR7TLR8OPRM1
SCHEMBL6778051 0.79 TLR7 (0.46) TLR7TLR8NUDT1
SCHEMBL6782828 0.79 TLR7 (0.41) TLR7TLR8NUDT1
SCHEMBL6777013 0.79 TLR7 (0.44) TLR7TLR8NUDT1
SCHEMBL6773648 0.79 TLR7 (0.48) TLR7TLR8NUDT1
SCHEMBL6782550 0.78 TLR7 (0.40) TLR7TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed