SCHEMBL7393159

SCHEMBL7393159

CCOC(=O)NC(=N)N1CCC[C@@H](CNC(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)N(CC(=O)O)C2CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.41
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
PRSS1 P07477 1/20 0.39
CTSK P43235 4/20 0.38
CTSL P07711 3/20 0.38
CTSS P25774 3/20 0.38
CTSB P07858 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
IL2RA P01589 1/20 0.36
ALB P02768 1/20 0.36
IL2 P60568 1/20 0.36

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
SCHEMBL9002928 0.89 F2 (0.47) F2PRSS1ITGB3ITGA2BTPSAB1
Hydrochloric Acid SCHEMBL9003001 0.89 F2 (0.48) F2PRSS1ITGB3ITGA2BTPSAB1
SCHEMBL7393871 0.88 CYP1A2 (0.41) F2BCHEACHECACNA1FCACNA1D
SCHEMBL9002775 0.85 BCHE (0.39) F2BCHEACHECACNA1FCACNA1D
SCHEMBL9002887 0.83 F2 (0.48) F2BCHEACHECACNA1FCACNA1D
Hydrochloric Acid SCHEMBL9002599 0.83 F2 (0.49) F2BCHEACHECACNA1FCACNA1D
SCHEMBL9003040 0.83 F2 (0.47) F2PRSS1ITGB3ITGA2BTPSAB1
SCHEMBL8947637 0.82 F2 (0.62) F2
SCHEMBL9002921 0.82 CASP1 (0.40) F2CTSKCTSLCTSSCTSB
SCHEMBL27405085 0.82 TPSAB1 (0.46) F2BCHEACHECACNA1FCACNA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559232-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-09-24 US disclosed
EP-0641779-A1 Novel 1-amidinopiperdines and 4-amidinomorpholines as aggregation inhibitions F. HOFFMANN-LA ROCHE AG (CH) 1995-03-08 EP disclosed