SCHEMBL6599339

SCHEMBL6599339

CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@H](Cc2ccc3ccccc3c2)c2nc(C(N)=O)c(-c3ccccc3)s2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 4/20 0.44
YAP1 P46937 3/20 0.44
CTSB P07858 3/20 0.44
PTPN1 P18031 2/20 0.43
PTPN2 P17706 1/20 0.43
PTPN6 P29350 1/20 0.43
CDC25B P30305 1/20 0.43
PTPN11 Q06124 1/20 0.43
MAPK1 P28482 1/20 0.42
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
STS P08842 1/20 0.39

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
SCHEMBL6599351 0.85 CTSS (0.56) CTSBPTPN1CTSSCTSK
SCHEMBL6600308 0.81 CTSS (0.52) CTSBPTPN1PTPN2PTPN6CDC25B
SCHEMBL27552033 0.81 CTSS (0.52) CTSBPTPN1PTPN2PTPN6CDC25B
SCHEMBL6162914 0.80 MAPK1 (0.62) CAPN1YAP1CTSBPTPN1MAPK1
SCHEMBL6162909 0.80 MAPK1 (0.62) CAPN1YAP1CTSBPTPN1MAPK1
SCHEMBL6600504 0.78 YAP1 (0.49) CAPN1YAP1CTSBMAPK1KMT2A
SCHEMBL6600505 0.78 YAP1 (0.49) CAPN1YAP1CTSBMAPK1KMT2A
SCHEMBL6600519 0.77 YAP1 (0.46) CAPN1YAP1CTSBMAPK1KMT2A
SCHEMBL6600260 0.76 CTSC (0.45) CTSBPTPN1PTPN2PTPN6CDC25B
SCHEMBL27494688 0.76 CTSC (0.45) CTSBPTPN1PTPN2PTPN6CDC25B

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