SCHEMBL3272874

SCHEMBL3272874

CN(C(=O)OC(C)(C)C)[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NN1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.42
CTSS P25774 3/20 0.40
CTSK P43235 2/20 0.40
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
BCL2 P10415 1/20 0.37
ACE P12821 2/20 0.36
MME P08473 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
AKT1 P31749 1/20 0.36
OPRK1 P41145 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
YAP1 P46937 1/20 0.35

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
SCHEMBL3266846 0.92 REN (0.45) RENCTSSCTSKMMP13ACE
SCHEMBL6317068 0.85 REN (0.46) RENCTSSCTSKMMP13ALDH1A1
SCHEMBL3268121 0.83 GHSR (0.43) CTSSCTSKBCL2ACEL3MBTL1
SCHEMBL3268119 0.83 GHSR (0.43) CTSSCTSKBCL2ACEL3MBTL1
SCHEMBL3270650 0.83 ALDH1A1 (0.41) ALDH1A1MAPTACEMMECPA1
SCHEMBL3266781 0.82 ALDH1A1 (0.42) ALDH1A1MAPTACEMMECPA1
SCHEMBL3268292 0.81 GHSR (0.57) ALDH1A1MAPTACEMMECPA1
SCHEMBL3268299 0.81 GHSR (0.57) ALDH1A1MAPTACEMMECPA1
SCHEMBL3280794 0.81 GHSR (0.57) ALDH1A1MAPTACEMMECPA1
SCHEMBL3267330 0.80 ALDH1A1 (0.44) RENCTSSCTSKMMP13ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506969-B1 Compounds with growth hormone releasing properties HELSINN THERAPEUTICS US INC (US) 2010-06-09 EP disclosed
EP-1506969-A1 Compounds with growth hormone releasing properties NOVO NORDISK A/S (DK) 2005-02-16 EP disclosed
EP-1047709-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2004-11-03 EP disclosed
EP-1047709-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 2000-11-02 EP disclosed
WO-1999036431-A9 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2000-07-27 WO disclosed
US-6083908-A TREATING MEDICAL DISORDERS RESULTING FROM DEFICIENCY IN GROWTH HORMONE NOVO NORDISK A/S (DK) 2000-07-04 US disclosed
WO-1999036431-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1999-07-22 WO disclosed