SCHEMBL14503612

SCHEMBL14503612

CC(=O)N1CCN(c2nc(Nc3ccc(N(Cc4ccccc4)S(=O)(=O)c4ccc(C)cc4)c(O)c3)nc(N3CCCCC3)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.49
▸ CNR2 P34972 2/20 0.44
▸ CA12 O43570 4/20 0.43
▸ CA1 P00915 4/20 0.43
▸ CA2 P00918 4/20 0.43
▸ CA9 Q16790 4/20 0.43
▸ MAPT P10636 3/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ RORC P51449 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ MMP1 P03956 2/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL14503132 0.94 ACHE (0.55) ACHECNR2CA12CA1CA2
SCHEMBL14503158 0.94 ACHE (0.55) ACHECNR2CA12CA1CA2
SCHEMBL5381941 0.91 ACHE (0.47) ACHECNR2CA12CA1CA2
SCHEMBL14503645 0.90 ACHE (0.50) ACHECNR2CA12CA1CA2
SCHEMBL14503572 0.89 CNR2 (0.49) ACHECNR2CA12CA1CA2
SCHEMBL14503568 0.89 ACHE (0.51) ACHECNR2CA12CA1CA2
SCHEMBL14503749 0.88 ACHE (0.47) ACHECNR2CA12CA1CA2
SCHEMBL14503641 0.88 ACHE (0.49) ACHECNR2CA12CA1CA2
SCHEMBL14503660 0.88 ACHE (0.49) ACHECNR2CA12CA1CA2
SCHEMBL14503390 0.87 LMNA (0.51) ACHECNR2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 — — US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 — — US disclosed
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