SCHEMBL7034267

SCHEMBL7034267

CC(C)NCCCCCC(=O)NC(CCCCN)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.62
▸ NOD1 Q9Y239 7/20 0.52
▸ NMT1 P30419 4/20 0.52
▸ NMT2 O60551 3/20 0.52
▸ FOLH1 Q04609 2/20 0.50
▸ CPB2 Q96IY4 3/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ FNTA P49354 1/20 0.45
▸ FNTB P49356 1/20 0.45

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
SCHEMBL7034266 1.00 SLC6A5 (0.62) SLC6A5NOD1NMT1NMT2FOLH1
SCHEMBL16927658 0.87 SLC6A5 (0.72) SLC6A5NOD1NMT1NMT2FOLH1
SCHEMBL7027662 0.87 SLC6A5 (0.72) SLC6A5NOD1NMT1NMT2FOLH1
SCHEMBL7027659 0.87 SLC6A5 (0.72) SLC6A5NOD1NMT1NMT2FOLH1
SCHEMBL3496665 0.87 SLC6A5 (0.72) SLC6A5NOD1NMT1NMT2FOLH1
SCHEMBL3496668 0.87 SLC6A5 (0.72) SLC6A5NOD1NMT1NMT2FOLH1
SCHEMBL11206719 0.86 SLC6A5 (0.67) SLC6A5NOD1NMT1NMT2FOLH1
SCHEMBL9634093 0.86 SLC6A5 (0.67) SLC6A5NOD1NMT1NMT2FOLH1
SCHEMBL9635202 0.83 SLC6A5 (0.85) SLC6A5NOD1FOLH1EPHX2
SCHEMBL9716743 0.83 SLC6A5 (0.85) SLC6A5NOD1FOLH1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822827-B1 ANTAGONISTS OF LHRH UNIV TEXAS (US) 2003-03-05 — — EP disclosed
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