SCHEMBL6774530

SCHEMBL6774530

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.42
TLR7 Q9NYK1 8/20 0.42
TLR8 Q9NR97 2/20 0.42
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 1/20 0.41
MAPT P10636 1/20 0.39
MCHR1 Q99705 1/20 0.38
GCGR P47871 1/20 0.38
PPARD Q03181 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NUDT1 P36639 1/20 0.37
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL6774495 0.91 TLR7 (0.43) TLR7TLR8MCHR1NUDT1
SCHEMBL6768556 0.90 SMN1; SMN2 (0.49) TLR7TLR8MAPTHPGDSMN1; SMN2
SCHEMBL6778937 0.89 TLR7 (0.42) TLR7TLR8MAPTNUDT1
SCHEMBL6773275 0.88 TRPV1 (0.43) TRPV1TLR7HDAC3HDAC1HDAC2
SCHEMBL6773544 0.87 TLR7 (0.51) TLR7TLR8NUDT1
SCHEMBL6768551 0.85 TLR7 (0.42) TRPV1TLR7TLR8HDAC3HDAC1
SCHEMBL6772850 0.85 TLR7 (0.44) TLR7TLR8HDAC3HDAC1HDAC2
SCHEMBL6775222 0.85 TLR7 (0.46) TLR7TLR8HDAC3HDAC1HPGD
SCHEMBL6772811 0.84 ALDH1A1 (0.46) TLR7TLR8HDAC3HDAC1HDAC2
SCHEMBL6772805 0.84 TRPV1 (0.44) TRPV1TLR7TLR8HDAC3HDAC1

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