SCHEMBL6771963

SCHEMBL6771963

CCOCc1nc2c(N)nc(C)cc2n1CCCCNC(=O)c1cccc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MCHR1 Q99705 1/20 0.46
DRD4 P21917 11/20 0.44
DRD2 P14416 10/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NAMPT P43490 1/20 0.43
CCR3 P51677 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL6772889 0.91 SMN1; SMN2 (0.48) MAPTGAASMN1; SMN2NPC1HTT
SCHEMBL6779395 0.90 TLR7 (0.46) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL6778818 0.89 HDAC3 (0.47) MAPTTP53DRD4DRD2MEN1
SCHEMBL6778546 0.87 ALDH1A1 (0.45) MAPTTP53SMN1; SMN2DRD2NAMPT
SCHEMBL6774215 0.86 TLR8 (0.54) MAPTTP53SMN1; SMN2RAB9AMEN1
SCHEMBL6772832 0.85 TP53 (0.47) GAATP53HTTHSD17B10DRD4
SCHEMBL6768616 0.85 MCHR1 (0.47) MAPTGAATP53SMN1; SMN2NPC1
SCHEMBL6773863 0.85 GAA (0.47) MAPTGAATP53SMN1; SMN2NPC1
SCHEMBL6768615 0.84 TLR7 (0.39) MAPTTP53MCHR1NAMPT
SCHEMBL6772805 0.83 TRPV1 (0.44) SMN1; SMN2NPC1RAB9AMCHR1

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