SCHEMBL6130684

SCHEMBL6130684

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

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33

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 0.81 NOS1 (0.47) NOS3NOS1NOS2
SCHEMBL7617170 0.81 NOS1 (0.47) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL6130509 0.80 NOS1 (0.49) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7605928 0.80 NOS1 (0.49) NOS3NOS1NOS2
SCHEMBL6130546 0.79 NOS1 (0.49) NOS3NOS1NOS2ARG1ARG2
SCHEMBL7611726 0.79 NOS1 (0.39) NOS3NOS1NOS2ARG1ARG2
SCHEMBL5640481 0.77 NOS3 (0.52) NOS3NOS1NOS2ARG1ARG2
SCHEMBL20435468 0.77 NOS3 (0.52) NOS3NOS1NOS2ARG1ARG2
Maleic Acid SCHEMBL27642880 0.77 NOS1 (0.43) NOS3NOS1NOS2
Maleic Acid SCHEMBL6267172 0.77 NOS1 (0.43) NOS3NOS1NOS2

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
EP-1463495-A4 AGENTS AND METHODS FOR TREATMENT OF CANCER PHARMACIA CORP (US) 2005-11-16 EP disclosed
WO-2005025620-A2 COMBINATION THERAPY WITH INHIBITORS OF INDUCIBLE NITRIC OXIDE SYNTHASE AND ALKYLATING AGENTS PHARMACIA CORPORATION (US) 2005-03-24 WO disclosed
EP-1463495-A2 AGENTS AND METHODS FOR TREATMENT OF CANCER Pharmacia Corporation (US) 2004-10-06 EP disclosed
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-2002076395-A2 AGENTS AND METHODS FOR TREATMENT OF CANCER PHARMACIA CORPORATION (US) 2002-10-03 WO 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