SCHEMBL6775573

SCHEMBL6775573

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNC(=O)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.39
TLR8 Q9NR97 7/20 0.38
TSHR P16473 1/20 0.38
NUDT1 P36639 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL6778648 0.95 TP53 (0.38) TLR7KMT2AKDM4EALDH1A1
SCHEMBL13996157 0.91 MEN1 (0.41) TLR7TLR8TSHRKMT2AKDM4E
Hydrochloric Acid SCHEMBL5027827 0.90 MEN1 (0.41) TLR7TLR8TSHRKMT2AKDM4E
SCHEMBL6094643 0.87 TLR7 (0.49) TLR7TLR8NUDT1
SCHEMBL6778701 0.85 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL6773171 0.85 TSHR (0.38) TSHRHTR1ADRD2DRD4KMT2A
SCHEMBL6771906 0.84 EPHX1 (0.41) KDM4EALDH1A1
SCHEMBL6288244 0.84 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL6094673 0.84 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL6768601 0.83 TLR7 (0.45) TLR7TLR8NUDT1

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