SCHEMBL8613093

SCHEMBL8613093

CCOC(=O)C(Cc1ccccn1)NC=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.47
HDAC1 Q13547 2/20 0.47
PTPRA P18433 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 4/20 0.43
NLRP3 Q96P20 1/20 0.43
KDM4E B2RXH2 1/20 0.42
FDPS P14324 1/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7172767 0.85 HDAC6 (0.43) HDAC6HDAC1PTPRASMN1; SMN2MEN1
SCHEMBL13156258 0.83 PTPRA (0.49) HDAC6HDAC1PTPRASMN1; SMN2MEN1
SCHEMBL8610347 0.82 PTPRA (0.58) HDAC6HDAC1PTPRASMN1; SMN2MEN1
SCHEMBL8611592 0.82 HDAC6 (0.47) HDAC6HDAC1PTPRASMN1; SMN2GAA
SCHEMBL27871862 0.81 SMN1; SMN2 (0.43) SMN1; SMN2GAAMEN1KMT2ARAB9A
SCHEMBL10619959 0.80 PTPRA (0.48) HDAC6HDAC1PTPRASMN1; SMN2GAA
SCHEMBL7882117 0.79 MMP8 (0.55) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL6952367 0.79 MMP8 (0.55) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL5860064 0.79 PTPRA (0.53) HDAC6HDAC1PTPRASMN1; SMN2GAA
SCHEMBL2949977 0.77 PTPRA (0.51) HDAC6HDAC1PTPRASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0457195-B1 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1998-04-15 EP disclosed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
US-5430022-A Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 US disclosed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP disclosed