SCHEMBL7067781

SCHEMBL7067781

NCC(=O)N1CCCC1C(=O)NCC(=O)NC(CS)C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)NC(CC(N)=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 1/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ GSTK1 Q9Y2Q3 1/20 0.34
▸ OPRM1 P35372 3/20 0.34
▸ OPRD1 P41143 3/20 0.34
▸ FAP Q12884 3/20 0.34
▸ BDKRB2 P30411 1/20 0.34
▸ NMUR2 Q9GZQ4 4/20 0.34
▸ NMUR1 Q9HB89 4/20 0.34
▸ PREP P48147 2/20 0.33
▸ DPP4 P27487 1/20 0.32

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
SCHEMBL7067786 1.00 NAA50 (0.35) NAA50PTGS1GSTK1OPRM1OPRD1
SCHEMBL29936781 0.87 KMT2A (0.37) PTGS1FAPBDKRB2PREPDPP4
SCHEMBL29832674 0.86 XIAP (0.37) NAA50OPRM1FAPPREPDPP4
SCHEMBL29832543 0.84 CALCRL (0.36) NAA50OPRM1OPRD1FAPPREP
SCHEMBL29411125 0.81 ACE (0.43) PTGS1FAPPREPDPP4
SCHEMBL6806059 0.81 PTGS1 (0.46) PTGS1GSTK1OPRM1OPRD1FAP
SCHEMBL6806049 0.81 PTGS1 (0.46) PTGS1GSTK1OPRM1OPRD1FAP
SCHEMBL29824941 0.80 NTMT1 (0.45) OPRM1OPRD1FAP
SCHEMBL26389253 0.80 DPP4 (0.40) OPRM1FAPPREPDPP4
SCHEMBL29414077 0.80 ITGB1 (0.35) FAPPREPDPP4

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
WO-2003055448-A2 ANTIFUNGAL COMPOSITIONS ACHILLION PHARMACEUTICALS, INC. (US) 2003-07-10 — — WO disclosed
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