SCHEMBL9787740

SCHEMBL9787740

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

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.66
CTSL P07711 2/20 0.64
CTSS P25774 1/20 0.64
CTSK P43235 1/20 0.64
MAPT P10636 2/20 0.64
TP53 P04637 1/20 0.64
REN P00797 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.59
TACR1 P25103 1/20 0.57

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
SCHEMBL9787805 0.90 CCKBR (0.71) CCKBRCTSLCTSSCTSKMAPT
SCHEMBL30597905 0.90 CCKBR (0.71) CCKBRCTSLCTSSCTSKMAPT
SCHEMBL31207815 0.89 CCKBR (0.68) CCKBRCTSLCTSSCTSKMAPT
SCHEMBL641549 0.89 CCKBR (0.70) CCKBRCTSLCTSSCTSKMAPT
SCHEMBL9787697 0.88 CCKBR (0.65) CCKBRCTSLCTSSCTSKMAPT
SCHEMBL27902206 0.88 CCKBR (0.71) CCKBRCTSLCTSSCTSKMAPT
SCHEMBL27902208 0.88 CCKBR (0.71) CCKBRCTSLCTSSCTSKMAPT
SCHEMBL30762270 0.87 CCKBR (0.70) CCKBRCTSLCTSSCTSKMAPT
SCHEMBL9787716 0.86 CCKBR (0.71) CCKBRCTSLCTSSCTSKMAPT
SCHEMBL9787720 0.86 CCKBR (0.71) CCKBRCTSLCTSSCTSKMAPT

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