SCHEMBL9002816

SCHEMBL9002816

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.44
PRSS1 P07477 2/20 0.43
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
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CTSL P07711 2/20 0.39
CTSS P25774 2/20 0.39
CTSB P07858 1/20 0.38
CTSK P43235 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 SCHEMBL9003076 0.99 F2 (0.45) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL9003062 0.94 F2 (0.44) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL9002944 0.91 F2 (0.47) F2PRSS1TPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL9002907 0.90 F2 (0.48) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL9002928 0.88 F2 (0.47) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL9002811 0.88 BCHE (0.40) BCHEACHECTSLCTSSCTSB
Hydrochloric Acid SCHEMBL9003001 0.87 F2 (0.48) F2PRSS1TPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL9003072 0.87 BCHE (0.40) BCHEACHECTSLCTSSCTSB
SCHEMBL9002812 0.87 F2 (0.40) F2PRSS1TPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL9003079 0.86 F2 (0.40) 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