SCHEMBL7204776

SCHEMBL7204776

C[C@H](N)C(=O)N[C@@H](CO)C(=O)NCC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.41
DPP4 P27487 1/20 0.39
NMT2 O60551 1/20 0.36
NMT1 P30419 1/20 0.36
NOD1 Q9Y239 1/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
MMP8 P22894 1/20 0.35
TGFBR1 P36897 1/20 0.34
MME P08473 3/20 0.34
ECE1 P42892 2/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
TERT O14746 1/20 0.33
CTRB1 P17538 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
SCHEMBL7204771 1.00 PAX8 (0.41) PAX8DPP4NMT2NMT1NOD1
SCHEMBL29351498 0.86 ALDH1A1 (0.47) PAX8DPP4NMT2NMT1NOD1
SCHEMBL22188067 0.86 DPP4 (0.39) PAX8DPP4NOD1DPP8DPP7
SCHEMBL7201733 0.85 CTSL (0.38) DPP4MMP8
SCHEMBL5176099 0.85 CTSL (0.38) DPP4MMP8
SCHEMBL29460686 0.84 PDCD1LG2 (0.41) PAX8MMP8MMEECE1PDCD1LG2
SCHEMBL30493695 0.82 OPRM1 (0.38) NMT2NMT1TGFBR1
SCHEMBL9214801 0.81 TERT (0.42) PAX8DPP4DPP8DPP7MME
SCHEMBL15623649 0.81 TERT (0.42) PAX8DPP4DPP8DPP7MME
SCHEMBL29447806 0.81 MME (0.44) PAX8NMT2NMT1NOD1TGFBR1

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
US-20030050242-A1 Protein polymerization inhibitors and methods of use TRIPEP AB (SE) 2003-03-13 US disclosed
US-20020091086-A1 Peptides that block viral infectivity and methods of use thereof VAHLNE ANDERS (SE) 2002-07-11 US disclosed
EP-1207897-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING TRIPEPTIDES TRIPEP AB (SE) 2002-05-29 EP disclosed
US-6258932-B1 TRIPEPTIDE OF DEFINED AMINO ACID SEQUENCE AND HAVING A C-TERMINAL AMIDE; VIRICIDES; TREATMENT AND PREVENTION OF HUMAN IMMUNODEFICIENCY VIRUS TRIPEP AB (BE) 2001-07-10 US disclosed
WO-2001010457-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING TRIPEPTIDES TRIPEP AB (SE) 2001-02-15 WO disclosed