SCHEMBL6600217

SCHEMBL6600217

Cc1noc([C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)C=CC(C)(C)N)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.45
ZAP70 P43403 4/20 0.45
CTSB P07858 3/20 0.42
CTSS P25774 3/20 0.42
CTSK P43235 2/20 0.42
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
FCER2 P06734 3/20 0.40
CTSL P07711 2/20 0.40
ACE P12821 3/20 0.39
MME P08473 2/20 0.39
CPA1 P15085 2/20 0.39
ACE2 Q9BYF1 2/20 0.39
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB2 P49721 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
SCHEMBL6600845 0.87 CTSS (0.47) SRCZAP70CTSBCTSSCTSK
SCHEMBL6600836 0.87 CTSS (0.47) SRCZAP70CTSBCTSSCTSK
SCHEMBL6600356 0.83 CTSS (0.59) SRCZAP70CTSBCTSSCTSK
SCHEMBL6600359 0.83 CTSS (0.59) SRCZAP70CTSBCTSSCTSK
SCHEMBL8933422 0.82 MMP9 (0.44) CTSBCTSSCTSKMMP9MMP8
SCHEMBL6600530 0.82 MMP9 (0.44) CTSBCTSSCTSKMMP9MMP8
SCHEMBL6600672 0.81 ZAP70 (0.46) SRCZAP70FCER2ACEMME
Hydrochloric Acid SCHEMBL6600093 0.80 ZAP70 (0.46) SRCZAP70FCER2ACEMME
SCHEMBL6600662 0.80 ZAP70 (0.47) SRCZAP70CTSBCTSSCTSK
SCHEMBL6600659 0.80 ZAP70 (0.47) SRCZAP70CTSBCTSSCTSK

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 1 patent. 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 claimed