SCHEMBL6774495

SCHEMBL6774495

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.43
TLR8 Q9NR97 11/20 0.43
NUDT1 P36639 1/20 0.39
MCHR1 Q99705 1/20 0.38
STING1 Q86WV6 1/20 0.36

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
SCHEMBL6778937 0.91 TLR7 (0.42) TLR7TLR8NUDT1
SCHEMBL6772811 0.91 ALDH1A1 (0.46) TLR7TLR8NUDT1
SCHEMBL6774530 0.91 TRPV1 (0.42) TLR7TLR8NUDT1MCHR1
SCHEMBL6773544 0.89 TLR7 (0.51) TLR7TLR8NUDT1
SCHEMBL6782683 0.89 MEN1 (0.44) TLR7TLR8NUDT1
SCHEMBL6768556 0.89 SMN1; SMN2 (0.49) TLR7TLR8
SCHEMBL6775222 0.87 TLR7 (0.46) TLR7TLR8NUDT1
SCHEMBL6772992 0.86 HDAC3 (0.40) TLR7MCHR1
SCHEMBL6772850 0.85 TLR7 (0.44) TLR7TLR8NUDT1STING1
SCHEMBL6775047 0.85 TLR7 (0.44) 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-6720333-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; N-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)BENZAMIDE 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed