SCHEMBL6773502

SCHEMBL6773502

CCCCC(=O)NCCCn1c(C)nc2c(N)nc(C)c(C)c21

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.37
TLR8 Q9NR97 11/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SLC6A5 Q9Y345 1/20 0.34

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
SCHEMBL6768462 0.94 TLR7 (0.38) TLR7TLR8KMT2ASMN1; SMN2
SCHEMBL6775775 0.89 EPHX1 (0.37) TLR7TLR8KMT2A
SCHEMBL6768601 0.86 TLR7 (0.45) TLR7TLR8
SCHEMBL6772471 0.83 HPGD (0.46) TLR7KMT2ASMN1; SMN2
SCHEMBL6774292 0.81 ALDH1A1 (0.47) TLR7KMT2A
SCHEMBL6773171 0.80 TSHR (0.38) KMT2ASMN1; SMN2
SCHEMBL6776898 0.80 EPHX1 (0.37) TLR7SMN1; SMN2
Hydrochloric Acid SCHEMBL6820241 0.78 CSNK2A1 (0.37) TLR7KMT2A
SCHEMBL6721772 0.78 CSNK2A1 (0.37) TLR7KMT2A
SCHEMBL6778418 0.78 TLR7 (0.39) TLR7KMT2A

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