SCHEMBL8610347

SCHEMBL8610347

O=CNC(Cc1ccccn1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.58
FDPS P14324 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43

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
SCHEMBL13156258 0.87 PTPRA (0.49) PTPRAFDPSSMN1; SMN2KDM4EKMT2A
SCHEMBL8613093 0.82 HDAC6 (0.47) PTPRAFDPSSMN1; SMN2KDM4EKMT2A
SCHEMBL13972048 0.81 PTPRA (0.61) PTPRAFDPSSMN1; SMN2ALDH1A1GRIN2D
SCHEMBL29831780 0.81 PTPRA (0.61) PTPRAFDPSSMN1; SMN2ALDH1A1GRIN2D
SCHEMBL10065593 0.81 PTPRA (0.61) PTPRAFDPSSMN1; SMN2ALDH1A1GRIN2D
SCHEMBL15708508 0.81 PTPRA (0.61) PTPRAFDPSSMN1; SMN2KMT2AGRIN2D
SCHEMBL3472396 0.81 PTPRA (0.61) PTPRAFDPSSMN1; SMN2ALDH1A1GRIN2D
Bromide SCHEMBL17476045 0.80 PTPRA (0.59) PTPRAFDPSSMN1; SMN2ALDH1A1GRIN2D
Bromide SCHEMBL17476046 0.80 PTPRA (0.59) PTPRAFDPSSMN1; SMN2ALDH1A1GRIN2D
SCHEMBL28625929 0.80 PTPRA (0.59) PTPRAFDPSSMN1; SMN2ALDH1A1GRIN2D

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