SCHEMBL6779031

SCHEMBL6779031

CCOCc1nc2c(N)ncc(C)c2n1CCCCNS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.42
HTR1A P08908 3/20 0.41
ADRA2A P08913 3/20 0.41
DRD2 P14416 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTR7 P34969 2/20 0.41
POLB P06746 1/20 0.39
NPY1R P25929 1/20 0.39
NPY5R Q15761 1/20 0.39

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
SCHEMBL6778433 0.91 TLR7 (0.47) TLR7HTR1AALDH1A1HTR7
SCHEMBL6783864 0.89 TLR7 (0.45) TLR7HTR1AALDH1A1POLB
SCHEMBL6775204 0.89 ALDH1A1 (0.45) TLR7HTR1AALDH1A1HTR7
SCHEMBL6774751 0.88 TLR7 (0.43) TLR7ALDH1A1
SCHEMBL6784344 0.88 TLR7 (0.40) TLR7DRD2ALDH1A1HTR7
SCHEMBL6779938 0.86 TLR7 (0.41) TLR7ALDH1A1
SCHEMBL6783227 0.85 TLR7 (0.39) TLR7ALDH1A1HTR7
SCHEMBL6784437 0.85 TLR7 (0.41) TLR7ALDH1A1
SCHEMBL6778051 0.85 TLR7 (0.46) TLR7HTR1ADRD2ALDH1A1HTR7
SCHEMBL6775218 0.85 POLB (0.42) TLR7HTR1AADRA2ADRD2ALDH1A1

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-6696465-B2 INDUCING BIOSYNTHESIS OF CYTOKINES; VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-02-24 US claimed