SCHEMBL8105768

SCHEMBL8105768

Clc1ccc(OC2CCN(C3CCOCC3)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.46
PROKR1 Q8TCW9 1/20 0.46
HRH3 Q9Y5N1 10/20 0.46
KCNH2 Q12809 1/20 0.46
MMP1 P03956 1/20 0.43
CYP11B2 P19099 1/20 0.42
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
TACR3 P29371 2/20 0.37
NAMPT P43490 1/20 0.37
LIPE Q05469 1/20 0.36

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
SCHEMBL17559331 0.86 FPR2 (0.44) FPR2PROKR1MMP1TACR3
SCHEMBL5418879 0.84 HRH3 (0.48) FPR2PROKR1HRH3KCNH2MMP1
SCHEMBL30843204 0.78 FPR2 (0.49) FPR2PROKR1HRH3KCNH2MMP1
SCHEMBL17339936 0.77 FPR2 (0.57) FPR2PROKR1HRH3MMP1NAMPT
SCHEMBL20069052 0.75 HRH3 (0.56) FPR2PROKR1HRH3MMP1
SCHEMBL4051291 0.75 FPR2 (0.47) FPR2PROKR1HRH3KCNH2MMP1
SCHEMBL7956692 0.75 FPR2 (0.47) FPR2PROKR1HRH3KCNH2MMP1
SCHEMBL16839481 0.74 FPR2 (0.46) FPR2PROKR1HRH3KCNH2MMP1
SCHEMBL13432144 0.73 HRH3 (0.52) FPR2PROKR1HRH3KCNH2NAMPT
SCHEMBL3385980 0.73 HRH3 (0.50) HRH3KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed