SCHEMBL7617170

SCHEMBL7617170

C[C@@](N)(CSCCNCC=N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.47
NOS2 P35228 4/20 0.47
NOS3 P29474 2/20 0.47
GGT1 P19440 1/20 0.31

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
SCHEMBL2592624 1.00 NOS1 (0.47) NOS1NOS2NOS3GGT1
Hydrochloric Acid SCHEMBL6130509 0.98 NOS1 (0.49) NOS1NOS2NOS3GGT1
Hydrochloric Acid SCHEMBL7605928 0.98 NOS1 (0.49) NOS1NOS2NOS3GGT1
Maleic Acid SCHEMBL27642880 0.94 NOS1 (0.43) NOS1NOS2NOS3
Maleic Acid SCHEMBL6267172 0.94 NOS1 (0.43) NOS1NOS2NOS3
Maleic Acid SCHEMBL2732805 0.93 NOS1 (0.45) NOS1NOS2NOS3
SCHEMBL7611659 0.85 NOS1 (0.33) NOS1NOS2NOS3
Salicylic Acid SCHEMBL6469549 0.83 KDM4E (0.38) NOS1NOS2NOS3
SCHEMBL6130546 0.82 NOS1 (0.49) NOS1NOS2NOS3
SCHEMBL6130684 0.81 NOS3 (0.50) NOS1NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265859-A2 AMIDINO COMPOUNDS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2002-12-18 EP disclosed
EP-1265860-A1 AMIDINO COMPOUND AND SALTS THEREOF USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2002-12-18 EP disclosed
WO-2001072702-A2 AMIDINO COMPOUNDS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2001-10-04 WO disclosed
WO-2001072703-A1 AMIDINO COMPOUND AND SALTS THEREOF USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2001-10-04 WO disclosed