SCHEMBL6773247

SCHEMBL6773247

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.40
DRD3 P35462 1/20 0.40
HTR1D P28221 1/20 0.39
POLB P06746 1/20 0.38
DRD4 P21917 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
ESR1 P03372 1/20 0.36
TLR8 Q9NR97 1/20 0.36
DHFR P00374 1/20 0.36
EPHX2 P34913 1/20 0.36
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 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
SCHEMBL6778376 0.89 EPHX2 (0.46) EPHX2
SCHEMBL6779304 0.87 EPHX2 (0.42) ALDH1A1TLR7TLR8EPHX2
SCHEMBL6774169 0.84 TLR7 (0.39) DRD2DRD4ALDH1A1TLR7TLR8
SCHEMBL6777954 0.82 TLR7 (0.41) ALDH1A1TLR7TLR8
SCHEMBL6285998 0.82 TLR7 (0.40) TLR7TLR8
SCHEMBL6773964 0.81 TP53 (0.42)
SCHEMBL6777013 0.80 TLR7 (0.44) TLR7TLR8
SCHEMBL6782828 0.80 TLR7 (0.41) ALDH1A1TLR7TLR8
SCHEMBL6776799 0.80 TLR7 (0.39) TLR7TLR8
SCHEMBL6782676 0.80 EPHX1 (0.41) EPHX2

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