SCHEMBL9787697

SCHEMBL9787697

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

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.65
CTSL P07711 1/20 0.63
CTSS P25774 1/20 0.63
CTSK P43235 1/20 0.63
REN P00797 2/20 0.59
MAPT P10636 2/20 0.58
TP53 P04637 1/20 0.58
NMBR P28336 3/20 0.57
TACR1 P25103 1/20 0.56
TACR3 P29371 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55

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 0.92 CCKBR (0.71) CCKBRCTSLCTSSCTSKREN
SCHEMBL9787716 0.92 CCKBR (0.71) CCKBRCTSLCTSSCTSKREN
SCHEMBL9787740 0.88 CCKBR (0.66) CCKBRCTSLCTSSCTSKREN
SCHEMBL9787707 0.87 CCKBR (0.63) CCKBRCTSLCTSSCTSKREN
SCHEMBL9787669 0.87 CCKBR (0.63) CCKBRCTSLCTSSCTSKREN
SCHEMBL641549 0.86 CCKBR (0.70) CCKBRCTSLCTSSCTSKREN
SCHEMBL9787805 0.85 CCKBR (0.71) CCKBRCTSLCTSSCTSKREN
SCHEMBL27902208 0.85 CCKBR (0.71) CCKBRCTSLCTSSCTSKREN
SCHEMBL27902206 0.85 CCKBR (0.71) CCKBRCTSLCTSSCTSKREN
SCHEMBL30597905 0.85 CCKBR (0.71) 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