SCHEMBL6600524

SCHEMBL6600524

CC(C)(C)OC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)NC[C@@H](Cc1ccccc1)c1nnc(C(N)=O)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.44
CTSB P07858 3/20 0.44
CTSK P43235 2/20 0.44
ALDH1A1 P00352 6/20 0.40
HPGD P15428 5/20 0.40
HTT P42858 5/20 0.40
NPSR1 Q6W5P4 5/20 0.40
LMNA P02545 4/20 0.40
PKM P14618 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 3/20 0.40
MAPT P10636 3/20 0.40
PTPRB P23467 2/20 0.40
TP53 P04637 2/20 0.40
AGTR1 P30556 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 2/20 0.38
XBP1 P17861 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL6602253 0.90 CTSB (0.39) CTSSCTSBCTSKALDH1A1HPGD
SCHEMBL6602012 0.90 CTSB (0.39) CTSSCTSBCTSKALDH1A1HPGD
SCHEMBL6600314 0.87 ALDH1A1 (0.48) CTSSCTSBCTSKALDH1A1HPGD
SCHEMBL7661248 0.85 CTSB (0.41) CTSSCTSBCTSKALDH1A1HPGD
SCHEMBL6317984 0.74 CTSS (0.52) CTSSCTSBCTSKPTPRBCTSL
SCHEMBL6600521 0.71 GHSR (0.39) CTSSCTSBCTSKALDH1A1HPGD
SCHEMBL13821453 0.70 CTSB (0.57) CTSSCTSBCTSKATMCTSL
SCHEMBL6600193 0.70 CTSS (0.52) CTSSCTSBCTSKMAPTPTPRB
SCHEMBL990242 0.69 CTSS (0.53) CTSSCTSBCTSKPTPRBATM
SCHEMBL13816316 0.68 SYK (0.56) CTSSCTSBCTSKPTPRBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805816-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2004-07-28 EP disclosed
US-6350767-B1 GROWTH HORMONE RELEASE STIMULANT NOVO NORDISK A/S (DK) 2002-02-26 US disclosed
US-6013658-A ANIMAL GROWTH REGULATORS NOVO NORDISK A/S (DK) 2000-01-11 US disclosed
WO-1996022997-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1996-08-01 WO disclosed