SCHEMBL6768615

SCHEMBL6768615

CCOCc1nc2c(N)nc(C)cc2n1CCCCNC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.39
TLR8 Q9NR97 2/20 0.39
MCHR1 Q99705 1/20 0.38
TP53 P04637 3/20 0.38
RXFP1 Q9HBX9 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
STING1 Q86WV6 3/20 0.37
MAPT P10636 1/20 0.37
NAMPT P43490 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
SCHEMBL6778546 0.92 ALDH1A1 (0.45) TLR7TLR8TP53RXFP1HDAC3
SCHEMBL6772832 0.92 TP53 (0.47) TLR7TLR8TP53HDAC3HDAC1
SCHEMBL6772805 0.91 TRPV1 (0.44) TLR7TLR8MCHR1HDAC3HDAC1
SCHEMBL6779395 0.90 TLR7 (0.46) TLR7TLR8TP53HDAC3HDAC1
SCHEMBL6772889 0.89 SMN1; SMN2 (0.48) HDAC3HDAC1MAPTNAMPT
SCHEMBL6778818 0.87 HDAC3 (0.47) TLR7TLR8TP53HDAC3HDAC1
SCHEMBL6774328 0.85 BRD4 (0.41) TLR7TLR8TP53MAPT
SCHEMBL6774215 0.84 TLR8 (0.54) TLR7TLR8TP53HDAC3HDAC1
SCHEMBL6779376 0.84 HTR7 (0.38) TLR7MAPT
SCHEMBL6096076 0.84 TLR7 (0.45) 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