SCHEMBL9002944

SCHEMBL9002944

CCCCN(CCC(=O)OCC)C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(=N)N)C1)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.47
BCHE P06276 3/20 0.44
ACHE P22303 3/20 0.44
CACNA1F O60840 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
PRSS1 P07477 1/20 0.43
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
IL2RA P01589 1/20 0.41
ALB P02768 1/20 0.41
IL2 P60568 1/20 0.41
CCKBR P32239 1/20 0.39
SIRT2 Q8IXJ6 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
Hydrochloric Acid SCHEMBL9002907 0.99 F2 (0.48) F2BCHEACHECACNA1FCACNA1D
SCHEMBL9003062 0.95 F2 (0.44) F2BCHEACHEPRSS1TPSAB1
SCHEMBL9002816 0.91 F2 (0.44) F2BCHEACHEPRSS1TPSAB1
SCHEMBL9002887 0.91 F2 (0.48) F2BCHEACHECACNA1FCACNA1D
Hydrochloric Acid SCHEMBL9003076 0.90 F2 (0.45) F2BCHEACHEPRSS1TPSAB1
Hydrochloric Acid SCHEMBL9002599 0.90 F2 (0.49) F2BCHEACHECACNA1FCACNA1D
SCHEMBL7390507 0.89 BCHE (0.44) F2BCHEACHECACNA1FCACNA1D
Hydrochloric Acid SCHEMBL7393795 0.88 BCHE (0.44) F2BCHEACHECACNA1FCACNA1D
SCHEMBL9002766 0.88 BCHE (0.40) F2BCHEACHECACNA1FCACNA1D
Hydrochloric Acid SCHEMBL9002721 0.87 BCHE (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559232-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-09-24 US disclosed