SCHEMBL7684050

SCHEMBL7684050

CN(CC(C)(C)O)c1ccc(CN)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.39
F11 P03951 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
LOXL2 Q9Y4K0 4/20 0.35
KLKB1 P03952 1/20 0.35
F10 P00742 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL26551923 0.85 HRH3 (0.39) ABATF11HRH3NOS3NOS1
SCHEMBL24522210 0.81 ALDH1A1 (0.46) NR1H2NR1H3ALDH1A1CYP3A4TSHR
SCHEMBL12176448 0.79 ALDH1A1 (0.44) NR1H2NR1H3ALDH1A1TSHRTDP1
SCHEMBL11556871 0.76 MEN1 (0.41) NR1H2NR1H3ALDH1A1CYP3A4TSHR
SCHEMBL24543107 0.75 RET (0.36) HRH3NR1H2NR1H3ALDH1A1TSHR
SCHEMBL23160256 0.74 AOC3 (0.51) ALDH1A1SMN1; SMN2
SCHEMBL14196578 0.73 L3MBTL1 (0.44) ABATF11HRH3NOS3NOS1
SCHEMBL7681662 0.73 NR1H3 (0.40) HRH3NOS3NOS1LOXL2NR1H2
SCHEMBL19580441 0.71 LOXL2 (0.50) ABATF11HRH3NOS3NOS1
SCHEMBL14146949 0.71 KEAP1 (0.52) ABATHRH3NOS1KEAP1NFE2L2

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-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed