SCHEMBL6769722

SCHEMBL6769722

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 12/20 0.42
HTR2B P41595 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
HSD11B1 P28845 1/20 0.40
EPHX2 P34913 2/20 0.39
MGLL Q99685 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL6779023 0.91 GAA (0.40) MAPK7HSD11B1EPHX2MGLLEGLN1
SCHEMBL6772904 0.91 TLR7 (0.39) HTR2BHSD11B1
SCHEMBL6773368 0.89 TLR7 (0.43)
SCHEMBL6768740 0.87 NPC1 (0.42)
SCHEMBL6773100 0.85 RAB9A (0.46) EPHX2
SCHEMBL6773545 0.81 TLR7 (0.43)
SCHEMBL6093363 0.81 TLR7 (0.36)
SCHEMBL6774530 0.80 TRPV1 (0.42) EPHX2
SCHEMBL6288804 0.79 TLR7 (0.41)
SCHEMBL6777973 0.79 TLR7 (0.37)

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