SCHEMBL9438871

SCHEMBL9438871

CCCCCN(CCCCC)C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.57
CTSS P25774 2/20 0.56
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
ACE P12821 1/20 0.54
PTPN1 P18031 2/20 0.50
PTPRA P18433 1/20 0.50

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
SCHEMBL9439254 0.91 BCL2 (0.56) CTSKPTPN1
SCHEMBL9439184 0.90 CTSK (0.55) CTSKCTSSPTPN1PTPRA
SCHEMBL9538641 0.89 CTSK (0.59) CTSKCTSS
SCHEMBL9536550 0.89 PTPN1 (0.59) ACEPTPN1
SCHEMBL9538805 0.88 CTSK (0.54) CTSKCTSSACEPTPN1
SCHEMBL9439097 0.87 CTSK (0.59) CTSKCTSSCTSBPTPN1
SCHEMBL9439194 0.87 PPARA (0.62) CTSKCTSS
SCHEMBL8685495 0.85 CTSK (0.48) CTSKCTSSCTSLCTSBACE
SCHEMBL9538810 0.83 CTSK (0.48) CTSKCTSSPTPN1PTPRA
SCHEMBL9438805 0.83 CTSK (0.60) CTSKCTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5346907-A Cholecystokinin antagonists used in treatment or prevention of disorders of gastrointestinal, central nervous, appetite regulating or pain regulating systems ABBOTT LABORATORIES (US) 1994-09-13 US disclosed
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