SCHEMBL6773193

SCHEMBL6773193

CCCCC(=O)N1CCC(CCn2c(COCC)nc3c(N)nc(C)c(C)c32)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 5/20 0.39
GNAO1 P09471 5/20 0.39
GNAI1 P63096 5/20 0.39
BACE1 P56817 2/20 0.37
CTSD P07339 1/20 0.37
NPY1R P25929 2/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
TLR7 Q9NYK1 7/20 0.35
TLR8 Q9NR97 7/20 0.35
NUDT1 P36639 1/20 0.35
CNR2 P34972 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
SCHEMBL6776588 0.88 EPHX2 (0.37) BACE1CTSDTLR7TLR8NUDT1
SCHEMBL6773457 0.87 L3MBTL1 (0.42) TLR7TLR8NUDT1
SCHEMBL6773840 0.87 TLR7 (0.37) HSP90AA1HSP90AB1TLR7TLR8NUDT1
SCHEMBL6093363 0.86 TLR7 (0.36) HSP90AA1HSP90AB1TLR7TLR8NUDT1
SCHEMBL6768386 0.85 TLR7 (0.42) TLR7TLR8NUDT1
SCHEMBL6777973 0.84 TLR7 (0.37) TLR7TLR8NUDT1
SCHEMBL6774067 0.84 ALDH1A1 (0.39) HSP90AA1HSP90AB1TLR7TLR8NUDT1
SCHEMBL6288804 0.84 TLR7 (0.41) TLR7TLR8NUDT1
SCHEMBL6772831 0.84 FAAH (0.38) NPY1RTLR7TLR8NUDT1
SCHEMBL6778341 0.84 TLR7 (0.35) 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