SCHEMBL9033158

SCHEMBL9033158

CCOC(=O)C(NC(=O)OCc1ccccc1)C(O)c1cnc(CN2CCCCCC2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
CACNA1F O60840 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
CTSL P07711 3/20 0.42
CTSB P07858 2/20 0.42
CTSK P43235 1/20 0.42
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
CTSS P25774 3/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
CCR1 P32246 1/20 0.38

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
SCHEMBL9031818 0.85 CTSL (0.44) OPRK1BCHEACHECACNA1FCACNA1D
SCHEMBL9032737 0.84 CTSL (0.44) OPRK1BCHEACHECACNA1FCACNA1D
SCHEMBL9033094 0.79 ITGB3 (0.45) OPRK1CTSLCTSBCTSKITGB3
SCHEMBL9032558 0.79 HTT (0.45) OPRK1BCHEACHECACNA1FCACNA1D
SCHEMBL9033091 0.75 CTSL (0.46) OPRK1CTSLCTSBCTSKITGB3
SCHEMBL9034601 0.74 CTSL (0.40) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL9033818 0.74 CTSL (0.45) OPRK1CTSLCTSBCTSKITGB3
SCHEMBL9033877 0.74 SMN1; SMN2 (0.44) OPRK1CYP2D6CYP2C9MEN1LMNA
SCHEMBL9033382 0.73 CTSL (0.43) OPRK1BCHEACHECACNA1FCACNA1D
SCHEMBL9033014 0.73 POLB (0.42) RAB9AMEN1LMNAKMT2A

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
EP-0696586-A1 SERINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed