SCHEMBL8423456

SCHEMBL8423456

CC(=N)Nc1ccccc1C[C@H](N)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.67
NOS1 P29475 4/20 0.67
NOS2 P35228 4/20 0.67
SLC7A5 Q01650 6/20 0.51
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MPO P05164 1/20 0.43
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 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
SCHEMBL8423459 1.00 NOS3 (0.67) NOS3NOS1NOS2SLC7A5ALPI
SCHEMBL4558495 0.87 NOS3 (0.68) NOS3NOS1NOS2SLC7A5ALPI
SCHEMBL26912720 0.87 NOS3 (0.68) NOS3NOS1NOS2SLC7A5ALPI
SCHEMBL29588178 0.87 NOS3 (0.68) NOS3NOS1NOS2SLC7A5ALPI
SCHEMBL8426029 0.86 NOS3 (0.64) NOS3NOS1NOS2SLC7A5ALPI
SCHEMBL8421337 0.81 NOS3 (0.68) NOS3NOS1NOS2SLC7A5ALPI
SCHEMBL8426030 0.80 NOS3 (1.00) NOS3NOS1NOS2SLC7A5ALPI
SCHEMBL20715035 0.79 NOS3 (0.56) NOS3NOS1NOS2SLC7A5ALPI
SCHEMBL8423303 0.79 NOS3 (0.55) NOS3NOS1NOS2SLC7A5ALPI
SCHEMBL13971424 0.77 SLC7A5 (0.69) NOS3NOS1NOS2SLC7A5ALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874472-A Aminoacid derivatives as no synthase inhibitors GLAXO WELLCOME INC. (US) 1999-02-23 US claimed
EP-0705257-B1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS WELLCOME FOUND (GB) 1998-03-11 EP claimed
EP-0705257-A1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1996-04-10 EP claimed
WO-1995000505-A1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-01-05 WO claimed
US-5874472-A Aminoacid derivatives as no synthase inhibitors GLAXO WELLCOME INC. (US) 1999-02-23 US disclosed
EP-0705257-B1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS WELLCOME FOUND (GB) 1998-03-11 EP disclosed
EP-0705257-A1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1996-04-10 EP disclosed
WO-1995000505-A1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-01-05 WO disclosed