SCHEMBL4974547

SCHEMBL4974547

O=C(O)C1CC(Nc2ccccc2)CN1C(=O)CNS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
DPP4 P27487 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
AGTR2 P50052 5/20 0.40
MMP1 P03956 1/20 0.39
GAA P10253 1/20 0.39
MMP12 P39900 1/20 0.39
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GBA1 P04062 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL2404098 0.84 MMP2 (0.49) NPC1RAB9ADPP4MEN1KMT2A
SCHEMBL13623181 0.79 AGTR2 (0.44) DPP4AGTR2
SCHEMBL2402151 0.79 AGTR2 (0.44) DPP4AGTR2
SCHEMBL2400310 0.79 AGTR2 (0.44) DPP4AGTR2
SCHEMBL13623180 0.75 CA12 (0.47) AGTR2MMP1
SCHEMBL2402849 0.75 CA12 (0.47) AGTR2MMP1
SCHEMBL2400215 0.75 CA12 (0.47) AGTR2MMP1
SCHEMBL10402799 0.75 NPC1 (0.54) NPC1RAB9ADPP4ALDH1A1
SCHEMBL1248462 0.73 CA12 (0.52) DPP4AGTR2MMP1
SCHEMBL1249515 0.73 CA12 (0.52) DPP4AGTR2MMP1

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-1966130-A2 MODIFIED LYSINE-MIMETIC COMPOUNDS Zealand Pharma A/S (DK) 2008-09-10 EP disclosed
WO-2007078990-A2 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2007-07-12 WO disclosed