SCHEMBL4730983

SCHEMBL4730983

CN(C)C(=O)N1CCN(S(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)[C@H](OC(=O)NO)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.36
NAMPT P43490 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
CCR1 P32246 2/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
PDE4B Q07343 1/20 0.35
TACR1 P25103 1/20 0.35
MMP3 P08254 2/20 0.34
PARP10 Q53GL7 1/20 0.33
ENPP2 Q13822 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
PKM P14618 1/20 0.33
CCR5 P51681 1/20 0.33
FAAH O00519 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
SCHEMBL4729676 0.90 USP5 (0.38) USP5NAMPTNPC1MAPTRAB9A
SCHEMBL4673266 0.85 USP5 (0.41) USP5NAMPTNPC1MAPTRAB9A
SCHEMBL4670810 0.82 USP5 (0.42) USP5NAMPTNPC1MAPTRAB9A
SCHEMBL4670813 0.82 USP5 (0.42) USP5NAMPTNPC1MAPTRAB9A
SCHEMBL7468984 0.81 LMNA (0.40) NAMPTNPC1MAPTRAB9AMMP3
SCHEMBL7464250 0.80 IRAK4 (0.32)
SCHEMBL4675464 0.79 LMNA (0.47) MAPTSMN1; SMN2L3MBTL1PROKR1
SCHEMBL4670994 0.73 MMP1 (0.39) MMP3ENPP2
SCHEMBL7504893 0.73 MMP1 (0.39) MMP3ENPP2
SCHEMBL7453945 0.72 MMP13 (0.38) MMP3

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
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP claimed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP claimed