SCHEMBL7331095

SCHEMBL7331095

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(N)=O)C(C)C)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 7/20 0.60
▸ EPHA2 P29317 2/20 0.60
▸ KDM1A O60341 3/20 0.58
▸ NMUR2 Q9GZQ4 1/20 0.54
▸ NMUR1 Q9HB89 1/20 0.54
▸ MAOB P27338 1/20 0.54
▸ KDM5A P29375 1/20 0.54
▸ KDM1B Q8NB78 1/20 0.54
▸ NPY1R P25929 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPY4R P50391 1/20 0.54
▸ NPY5R Q15761 1/20 0.54
▸ RAMP3 O60896 3/20 0.54
▸ CALCR P30988 3/20 0.54

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
SCHEMBL7124762 0.91 NMUR2 (0.52) TFPIKDM1ANMUR2NMUR1NPY1R
SCHEMBL30415437 0.88 MAPK8 (0.59) TFPIEPHA2KDM1ANMUR2NMUR1
SCHEMBL8441486 0.88 KDM1A (0.54) TFPIKDM1ANMUR2NMUR1NPY1R
SCHEMBL29396082 0.87 RAMP3 (0.64) EPHA2KDM1ANMUR2NMUR1NPY1R
SCHEMBL29404705 0.87 RAMP3 (0.70) TFPINMUR2NMUR1NPY1RNPY2R
SCHEMBL26454697 0.86 TFPI (0.63) TFPIKDM1ANMUR2NMUR1NPY1R
SCHEMBL26454508 0.86 TFPI (0.63) TFPIEPHA2KDM1ANMUR2NMUR1
SCHEMBL30262164 0.85 EPHA2 (0.62) TFPIEPHA2KDM1AMAOBKDM5A
SCHEMBL30640886 0.85 RAMP3 (0.63) EPHA2KDM1ANMUR2NMUR1MAOB
SCHEMBL9807268 0.85 KDM1A (0.57) TFPIEPHA2KDM1A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5438118-A Peptide mimics having constrained peptide backbone SMITHKLINE BEECHMAN CORP. (US) 1995-08-01 — — US disclosed
EP-0594586-A4 HIV PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 1994-08-17 — — EP disclosed
EP-0575500-A4 HIV PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 1994-06-01 — — EP disclosed
EP-0594586-A1 HIV PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-05-04 — — EP disclosed
EP-0559793-A4 — — 1994-04-27 — — EP disclosed
EP-0538366-A4 — — 1994-04-20 — — EP disclosed
EP-0538396-A4 — — 1994-04-13 — — EP disclosed
EP-0538383-A4 — — 1994-04-13 — — EP disclosed
EP-0575500-A1 HIV PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-12-29 — — EP disclosed
EP-0559793-A1 HIV PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-09-15 — — EP disclosed
EP-0538383-A1 INHIBITORS OF ASPARTIC PROTEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-28 — — EP disclosed
WO-1993002674-A1 HIV PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-02-18 — — WO disclosed
WO-1992015319-A1 HIV PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1992-09-17 — — WO disclosed
WO-1992009297-A1 HIV PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1992-06-11 — — WO disclosed
WO-1992000750-A1 RETROVIRAL PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1992-01-23 — — WO disclosed
WO-1992000956-A1 INHIBITORS OF ASPARTIC PROTEASES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-23 — — WO disclosed
WO-1992000954-A1 ASPARTIC PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1992-01-23 — — WO disclosed
WO-1992000948-A1 INHIBITORS OF RETROVIRAL PROTEASES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-23 — — WO disclosed
WO-1991010442-A1 HIV PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-07-25 — — WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 — — EP disclosed
Send feedback