SCHEMBL5168538

SCHEMBL5168538

C[C@H](C(=O)O)N1CC1CNC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
CTSS P25774 8/20 0.39
CTSK P43235 8/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
EPHX1 P07099 1/20 0.37
GFER P55789 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DRD2 P14416 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL5167552 1.00 KMT2A (0.51) KMT2AMEN1GAACTSSCTSK
Hydrochloric Acid SCHEMBL7200271 0.99 KMT2A (0.50) KMT2AMEN1GAACTSSCTSK
Hydrochloric Acid SCHEMBL7947555 0.99 KMT2A (0.50) KMT2AMEN1GAACTSSCTSK
SCHEMBL5168741 0.78 CTSS (0.47) KMT2AMEN1CTSSCTSKCTSL
SCHEMBL5166032 0.78 CTSS (0.47) KMT2AMEN1CTSSCTSKCTSL
Hydrochloric Acid SCHEMBL7941347 0.77 CTSS (0.47) KMT2AMEN1CTSSCTSKCTSL
Hydrochloric Acid SCHEMBL7952971 0.77 CTSS (0.47) KMT2AMEN1CTSSCTSKCTSL
SCHEMBL21739082 0.77 GFER (0.41) KMT2AMEN1GAACTSSCTSK
SCHEMBL10332285 0.75 MEN1 (0.41) KMT2AMEN1GAAEPHX1GFER
SCHEMBL19088850 0.74 EPHX1 (0.41) KMT2AMEN1EPHX1GFERDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004074316-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOGS GILON CHAIM (IL) 2004-09-02 WO claimed
EP-0804468-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOG PEPTOR LTD (IL) 1997-11-05 EP claimed
WO-1995033765-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOG PEPTOR LTD. (IL) 1995-12-14 WO claimed
EP-0804468-B1 METHOD OF MAKING AN OMEGA-FUNCTIONALIZED AMINO ACID DERIVATIVE DEVELOGEN ISRAEL LTD (IL) 2007-04-25 EP disclosed
WO-2004074316-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOGS GILON CHAIM (IL) 2004-09-02 WO disclosed
US-6407059-B1 SOMATOSTATIN-TYPE DRUG PEPTOR LIMITED (IL) 2002-06-18 US disclosed
US-6265375-B1 Conformationally constrained backbone cyclized peptide analogs YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY (IL) 2001-07-24 US disclosed
US-5811392-A BRADYKININ ANTAGONISTS; SOMATOSTATIN ANALOGS YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY (IL) 1998-09-22 US disclosed
EP-0804468-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOG PEPTOR LTD (IL) 1997-11-05 EP disclosed
WO-1995033765-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOG PEPTOR LTD. (IL) 1995-12-14 WO disclosed