SCHEMBL9538641

SCHEMBL9538641

CCCCCN(CCCCC)C(=O)[C@@H](CCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.59
CTSS P25774 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
SCHEMBL9438871 0.89 CTSK (0.57) CTSKCTSS
SCHEMBL9439194 0.85 PPARA (0.62) CTSKCTSS
SCHEMBL9544192 0.84 CTSK (0.58) CTSKCTSS
SCHEMBL9439085 0.84 CTSK (0.58) CTSKCTSS
SCHEMBL6163542 0.83 CTSK (0.65) CTSKCTSS
SCHEMBL6163545 0.83 CTSK (0.65) CTSKCTSS
SCHEMBL9544271 0.83 CTSK (0.59) CTSKCTSS
SCHEMBL9538440 0.82 CTSK (0.54) CTSKCTSS
SCHEMBL15238968 0.81 CTSK (0.53) CTSKCTSS
SCHEMBL9439254 0.81 BCL2 (0.56) CTSK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0480969-A4 AMINO ACID ANALOG CCK ANTAGONISTS 1993-01-07 EP disclosed
EP-0480969-A1 AMINO ACID ANALOG CCK ANTAGONISTS ABBOTT LABORATORIES (US) 1992-04-22 EP disclosed
WO-1991000725-A2 AMINO ACID ANALOG CCK ANTAGONISTS ABBOTT LABORATORIES (US) 1991-01-24 WO disclosed