SCHEMBL9002887

SCHEMBL9002887

CCOC(=O)CCN(C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(=N)N)C1)NC(=O)OCc1ccccc1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.48
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
CACNA1F O60840 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
PRSS1 P07477 2/20 0.45
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
IL2RA P01589 1/20 0.42
ALB P02768 1/20 0.42
IL2 P60568 1/20 0.42
F10 P00742 1/20 0.41

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 SCHEMBL9002599 0.99 F2 (0.49) F2BCHEACHECACNA1FCACNA1D
SCHEMBL9003040 0.93 F2 (0.47) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL9002944 0.91 F2 (0.47) F2BCHEACHECACNA1FCACNA1D
Hydrochloric Acid SCHEMBL9002907 0.90 F2 (0.48) F2BCHEACHECACNA1FCACNA1D
SCHEMBL7393984 0.90 BCHE (0.45) F2BCHEACHECACNA1FCACNA1D
Hydrochloric Acid SCHEMBL7394415 0.89 BCHE (0.45) F2BCHEACHECACNA1FCACNA1D
SCHEMBL9002928 0.88 F2 (0.47) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL9003140 0.88 BCHE (0.43) F2BCHEACHECACNA1FCACNA1D
Hydrochloric Acid SCHEMBL9003045 0.87 BCHE (0.43) F2BCHEACHECACNA1FCACNA1D
Hydrochloric Acid SCHEMBL9003001 0.87 F2 (0.48) F2PRSS1TPSAB1TPSD1TPSG1

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