SCHEMBL6600521

SCHEMBL6600521

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 7/20 0.39
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
PKM P14618 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
AGTR1 P30556 1/20 0.36
RAB9A P51151 1/20 0.36
XBP1 P17861 2/20 0.34
JAK2 O60674 1/20 0.34
S1PR4 O95977 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL6602015 0.86 GHSR (0.43) GHSRCTSBCTSSCTSKALDH1A1
SCHEMBL6602009 0.86 GHSR (0.43) GHSRCTSBCTSSCTSKALDH1A1
SCHEMBL6600320 0.85 ALDH1A1 (0.42) ALDH1A1LMNAHPGDHTTNPSR1
SCHEMBL7653246 0.85 GHSR (0.46) GHSR
SCHEMBL6600348 0.85 GHSR (0.46) GHSR
SCHEMBL7661248 0.84 CTSB (0.41) GHSRCTSBCTSSCTSKALDH1A1
SCHEMBL27495077 0.81 FCER2 (0.42) GHSR
SCHEMBL6600576 0.81 FCER2 (0.42) GHSR
SCHEMBL6600092 0.80 GHSR (0.39) GHSRCTSBCTSSCTSK
SCHEMBL6317705 0.80 GHSR (0.48) GHSRCTSBCTSSCTSKREN

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