SCHEMBL6777554

SCHEMBL6777554

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)NC2CCCCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.35
SMO Q99835 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TLR7 Q9NYK1 5/20 0.34
EPHX2 P34913 1/20 0.34
TLR8 Q9NR97 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NUDT1 P36639 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL6778341 0.88 TLR7 (0.35) TLR7EPHX2TLR8NUDT1
SCHEMBL6774067 0.87 ALDH1A1 (0.39) TLR7TLR8ALDH1A1NUDT1
SCHEMBL6777973 0.87 TLR7 (0.37) TLR7TLR8NUDT1
SCHEMBL6772831 0.87 FAAH (0.38) TLR7TLR8ALDH1A1NUDT1
SCHEMBL6776588 0.86 EPHX2 (0.37) GAATLR7EPHX2TLR8NUDT1
SCHEMBL6773840 0.85 TLR7 (0.37) TLR7TLR8ALDH1A1NUDT1
SCHEMBL6777299 0.85 ALDH1A1 (0.43) KDM4EMAPTGAATLR7TLR8
SCHEMBL6288252 0.84 EPHX2 (0.47) EPHX2
SCHEMBL6093363 0.84 TLR7 (0.36) TLR7TLR8NUDT1
SCHEMBL6288804 0.82 TLR7 (0.41) KDM4EGAATLR7TLR8ALDH1A1

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-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed