SCHEMBL6779968

SCHEMBL6779968

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=O)c1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.47
ADORA2A P29274 9/20 0.47
TLR7 Q9NYK1 5/20 0.45
TLR8 Q9NR97 3/20 0.45
GAA P10253 1/20 0.42
NAMPT P43490 1/20 0.42
HDAC3 O15379 1/20 0.41
CCR5 P51681 1/20 0.40

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
SCHEMBL6772194 0.91 TLR7 (0.42) TLR7TLR8NAMPTHDAC3
SCHEMBL6768616 0.89 MCHR1 (0.47) MCHR1TLR7TLR8GAANAMPT
SCHEMBL6782531 0.88 CCR3 (0.42) ADORA2ATLR7TLR8
SCHEMBL6775141 0.88 TLR7 (0.51) TLR7TLR8
SCHEMBL6772917 0.86 TLR7 (0.45) TLR7TLR8NAMPTHDAC3
SCHEMBL6768596 0.86 MCHR1 (0.47) MCHR1ADORA2ATLR7TLR8GAA
SCHEMBL6779049 0.86 DRD2 (0.45) TLR7TLR8HDAC3
SCHEMBL6779938 0.84 TLR7 (0.41) TLR7TLR8
SCHEMBL6768640 0.83 TLR7 (0.43) TLR7TLR8GAAHDAC3
SCHEMBL6778794 0.82 SMN1; SMN2 (0.48) TLR7TLR8HDAC3

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