SCHEMBL6897348

SCHEMBL6897348

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)COCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TLR7 Q9NYK1 13/20 0.43
TLR8 Q9NR97 7/20 0.41
NUDT1 P36639 1/20 0.41
GRM5 P41594 1/20 0.38
EHMT2 Q96KQ7 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL6768386 0.92 TLR7 (0.42) ALDH1A1TLR7TLR8NUDT1
SCHEMBL6773457 0.91 L3MBTL1 (0.42) ALDH1A1TLR7TLR8NUDT1KDM4E
SCHEMBL6773368 0.87 TLR7 (0.43) TLR7TLR8NUDT1
SCHEMBL6777299 0.86 ALDH1A1 (0.43) ALDH1A1TLR7TLR8NUDT1KDM4E
SCHEMBL6097194 0.84 NPY1R (0.45) TLR7TLR8NUDT1KDM4E
SCHEMBL6279887 0.84 TLR7 (0.41) TLR7TLR8NUDT1
SCHEMBL6095134 0.84 HRH3 (0.42) TLR7TLR8NUDT1
SCHEMBL6701295 0.84 HRH3 (0.42) TLR7TLR8NUDT1
SCHEMBL6773193 0.84 GNAI3 (0.39) TLR7TLR8NUDT1
SCHEMBL6774583 0.83 MEN1 (0.47) ALDH1A1TLR7TLR8NUDT1

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