SCHEMBL6779304

SCHEMBL6779304

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=S)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.42
ALDH1A1 P00352 2/20 0.38
ACHE P22303 3/20 0.37
BCHE P06276 2/20 0.37
CHRM1 P11229 1/20 0.37
BACE1 P56817 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
TLR7 Q9NYK1 2/20 0.35
TLR8 Q9NR97 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.34

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 0.92 EPHX2 (0.46) EPHX2
SCHEMBL6773247 0.87 DRD2 (0.40) EPHX2ALDH1A1TLR7TLR8
SCHEMBL6777534 0.81 TLR7 (0.36) ALDH1A1TLR7TLR8
SCHEMBL6774169 0.81 TLR7 (0.39) ALDH1A1TLR7TLR8
SCHEMBL6778839 0.80 MAPKAPK2 (0.43) TLR7TLR8
SCHEMBL6778983 0.80 SMN1; SMN2 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL6777954 0.79 TLR7 (0.41) ALDH1A1TLR7TLR8KMT2A
SCHEMBL6772297 0.79 TLR7 (0.44) ALDH1A1ACHETLR7TLR8MEN1
SCHEMBL6285998 0.79 TLR7 (0.40) TLR7TLR8
SCHEMBL6782830 0.78 HPGD (0.54) ALDH1A1ACHEMEN1KMT2A

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