SCHEMBL6472209

SCHEMBL6472209

CC(N)(CC=CCCNCC=N)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.31
ACLY P53396 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
SCHEMBL7071320 1.00 GGT1 (0.31) GGT1ACLY
SCHEMBL7067880 1.00 GGT1 (0.31) GGT1ACLY
SCHEMBL7067866 1.00 GGT1 (0.31) GGT1ACLY
SCHEMBL7074563 1.00 GGT1 (0.31) GGT1ACLY
SCHEMBL6478143 0.86 BLM (0.34) GGT1
SCHEMBL6985887 0.86 BLM (0.34) GGT1
SCHEMBL6986975 0.86 BLM (0.34) GGT1
SCHEMBL6130501 0.86 BLM (0.34) GGT1
SCHEMBL7067315 0.82 MEN1 (0.36)
SCHEMBL7071104 0.82 MEN1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317418-A2 2-AMINO-2-ALKYL-4 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2003-06-11 EP claimed
WO-2002022557-A2 2-AMINO-2-ALKYL-4 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2002-03-21 WO claimed
WO-2005025620-A2 COMBINATION THERAPY WITH INHIBITORS OF INDUCIBLE NITRIC OXIDE SYNTHASE AND ALKYLATING AGENTS PHARMACIA CORPORATION (US) 2005-03-24 WO disclosed