SCHEMBL9787716

SCHEMBL9787716

CC(C)CC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NCCC(=O)O

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.71
CTSL P07711 1/20 0.68
CTSS P25774 1/20 0.68
CTSK P43235 1/20 0.68
MMP1 P03956 1/20 0.61
REN P00797 2/20 0.60
TP53 P04637 1/20 0.60
MAPT P10636 1/20 0.60
NMBR P28336 1/20 0.59

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
SCHEMBL9787720 1.00 CCKBR (0.71) CCKBRCTSLCTSSCTSKMMP1
SCHEMBL9787697 0.92 CCKBR (0.65) CCKBRCTSLCTSSCTSKREN
SCHEMBL27902208 0.89 CCKBR (0.71) CCKBRCTSLCTSSCTSKREN
SCHEMBL30597905 0.89 CCKBR (0.71) CCKBRCTSLCTSSCTSKREN
SCHEMBL27902206 0.89 CCKBR (0.71) CCKBRCTSLCTSSCTSKREN
SCHEMBL9787805 0.89 CCKBR (0.71) CCKBRCTSLCTSSCTSKREN
SCHEMBL9787669 0.88 CCKBR (0.63) CCKBRCTSLCTSSCTSKREN
SCHEMBL9787707 0.88 CCKBR (0.63) CCKBRCTSLCTSSCTSKREN
SCHEMBL9787712 0.88 CCKBR (0.76) CCKBRCTSLCTSSCTSKMMP1
SCHEMBL30762270 0.88 CCKBR (0.70) CCKBRCTSLCTSSCTSKREN

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
US-4997950-A Antisecretory MURPHY RICHARD FINBAR (US) 1991-03-05 US disclosed