SCHEMBL6534852

SCHEMBL6534852

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.45
NTSR2 O95665 1/20 0.44
NTSR1 P30989 1/20 0.44
OPRM1 P35372 3/20 0.44
OPRD1 P41143 3/20 0.44
OPRK1 P41145 2/20 0.44
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
LNPEP Q9UIQ6 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
NPY4R P50391 1/20 0.43
NMT2 O60551 1/20 0.42
NMT1 P30419 1/20 0.42
CPB2 Q96IY4 3/20 0.42
GSR P00390 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
GNAI3 P08754 1/20 0.40

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
SCHEMBL6534849 1.00 TERT (0.45) TERTNTSR2NTSR1OPRM1OPRD1
SCHEMBL30537470 0.94 NMT2 (0.47) TERTNTSR2NTSR1OPRM1OPRD1
SCHEMBL27639948 0.94 TERT (0.50) TERTNTSR2NTSR1OPRM1OPRD1
SCHEMBL1674765 0.94 TERT (0.50) TERTNTSR2NTSR1OPRM1OPRD1
SCHEMBL28238234 0.90 NMT1 (0.50) NTSR2NTSR1OPRM1OPRD1OPRK1
SCHEMBL28238235 0.90 NMT1 (0.50) NTSR2NTSR1OPRM1OPRD1OPRK1
SCHEMBL30397735 0.89 NPY1R (0.50) NTSR2NTSR1OPRK1ERAP2ERAP1
SCHEMBL29740735 0.89 NPY1R (0.50) NTSR2NTSR1OPRK1ERAP2ERAP1
SCHEMBL8013829 0.89 GSR (0.51) ERAP2ERAP1LNPEPNPY1RNPY2R
SCHEMBL20818872 0.89 GSR (0.51) ERAP2ERAP1LNPEPNPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015482-A4 ISOLATED CANDIDA ALBICANS OLIGOPEPTIDE TRANSPORTER GENE UNIV TENNESSEE RES CORP (US) 2004-09-15 EP disclosed
US-6441134-B1 OLIGOPEPTIDE MEMBRANE TRANSPORTER WHICH IS NOT A MEMBER OF THE PEPTIDE TRANSPORT (PTR) OR ATP BINDING CASSETTE (ABC) FAMILIES; USE TARGETING ANTICANDIDAL (FUNGICIDAL) DRUGS THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION 2002-08-27 US disclosed
EP-1015482-A1 ISOLATED CANDIDA ALBICANS OLIGOPEPTIDE TRANSPORTER GENE THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2000-07-05 EP disclosed
WO-1998034950-A1 ISOLATED CANDIDA ALBICANS OLIGOPEPTIDE TRANSPORTER GENE THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 1998-08-13 WO disclosed
WO-1998034950-A1 ISOLATED CANDIDA ALBICANS OLIGOPEPTIDE TRANSPORTER GENE THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 1998-08-13 WO disclosed