SCHEMBL6267175

SCHEMBL6267175

C[C@](N)(CSCCNCC=N)C(=O)OC(=O)/C=C\C(=O)OC(=O)[C@@](C)(N)CSCCNCC=N

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
Hydrochloric Acid SCHEMBL2732807 0.99 NOS3 (0.32) NOS3NOS1NOS2
SCHEMBL7611659 0.87 NOS1 (0.33) NOS3NOS1NOS2
SCHEMBL2592624 0.81 NOS1 (0.47) NOS3NOS1NOS2
SCHEMBL7617170 0.81 NOS1 (0.47) NOS3NOS1NOS2
SCHEMBL1842091 0.81 TSHR (0.33) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7605928 0.80 NOS1 (0.49) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL6130509 0.80 NOS1 (0.49) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL1843462 0.80 NOS3 (0.33) NOS3NOS1NOS2
Maleic Acid SCHEMBL6267172 0.79 NOS1 (0.43) NOS3NOS1NOS2
Maleic Acid SCHEMBL2732805 0.78 NOS1 (0.45) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603869-A1 S- 2- (1-IMINOETHYL)AMINO ETHYL -2-METHYL-L-C YSTEINE MALEATE FORM II CRYSTALLINE SALT Pharmacia Corporation (US) 2005-12-14 EP claimed
EP-1603871-A1 S-[2-[(I-IMINOETHYL)AMINO]ETHYL]-2-METHYL-L-CYSTEINE MALEATE CRYSTALLINE SALT Pharmacia Corporation (US) 2005-12-14 EP claimed
WO-2004080955-A1 S-[2-[1-IMINOETHYL)AMINO]ETHYL]-2-METHYL-L-CYSTEINE MALEATE CRYSTALLINE SALT PHARMACIA CORPORATION (US) 2004-09-23 WO claimed
WO-2004080954-A1 S-[2-[(1-IMINOETHYL)AMINO]ETHYL]-2-METHYL-L-CYSTEINE MALEATE FORM II CRYSTALLINE SALT PHARMACIA CORPORATION (US) 2004-09-23 WO claimed
CN-1787993-A S-[2-[(1-iminoethyl)amino]ethyl]-2-methyl-l-cysteine maleate hydrochloride crystalline salt PHARMACIA CORP (US) 2006-06-14 CN disclosed
EP-1603869-A1 S- 2- (1-IMINOETHYL)AMINO ETHYL -2-METHYL-L-C YSTEINE MALEATE FORM II CRYSTALLINE SALT Pharmacia Corporation (US) 2005-12-14 EP disclosed
EP-1603872-A1 S-[2-[(1-IMINOETHYL)AMINO]ETHYL]-2-METHYL-L-CYSTEINE MALEATE HYDROCHLORIDE CRYSTALLINE SALT Pharmacia Corporation (US) 2005-12-14 EP disclosed
EP-1603871-A1 S-[2-[(I-IMINOETHYL)AMINO]ETHYL]-2-METHYL-L-CYSTEINE MALEATE CRYSTALLINE SALT Pharmacia Corporation (US) 2005-12-14 EP disclosed
WO-2004080955-A1 S-[2-[1-IMINOETHYL)AMINO]ETHYL]-2-METHYL-L-CYSTEINE MALEATE CRYSTALLINE SALT PHARMACIA CORPORATION (US) 2004-09-23 WO disclosed
WO-2004080956-A1 S-[2-[(1-IMINOETHYL)AMINO]ETHYL]-2-METHYL-L-CYSTEINE MALEATE HYDROCHLORIDE CRYSTALLINE SALT PHARMACIA CORPORATION (US) 2004-09-23 WO disclosed
WO-2004080954-A1 S-[2-[(1-IMINOETHYL)AMINO]ETHYL]-2-METHYL-L-CYSTEINE MALEATE FORM II CRYSTALLINE SALT PHARMACIA CORPORATION (US) 2004-09-23 WO disclosed