SCHEMBL6774169

SCHEMBL6774169

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=O)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
TLR8 Q9NR97 4/20 0.38
TP53 P04637 3/20 0.37
MAPT P10636 3/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6773964 0.96 TP53 (0.42) TP53MAPT
SCHEMBL6777954 0.86 TLR7 (0.41) TLR7TLR8MAPTKDM4EALDH1A1
SCHEMBL6782676 0.85 EPHX1 (0.41)
SCHEMBL6285998 0.85 TLR7 (0.40) TLR7TLR8
SCHEMBL6779407 0.84 DRD2 (0.42) TLR7DRD2TLR8ALDH1A1
SCHEMBL6779411 0.84 DRD2 (0.42) TLR7DRD2TLR8ALDH1A1
SCHEMBL6777013 0.84 TLR7 (0.44) TLR7TLR8
SCHEMBL6776799 0.84 TLR7 (0.39) TLR7TLR8
SCHEMBL6782828 0.84 TLR7 (0.41) TLR7TLR8ALDH1A1LMNAGAA
SCHEMBL6773247 0.84 DRD2 (0.40) TLR7HTR1ADRD2DRD4TLR8

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