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SCHEMBL7447251

SCHEMBL7447251

N=C(N)N1CCC(CC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)CC5CCN(C(=N)N)CC5)CC4)CCC3)CC2)CC1.O=C(O)N1CCN(C(=O)NCCC2CCNCC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 20/20 0.73
▸ TPSD1 Q9BZJ3 20/20 0.73
▸ TPSG1 Q9NRR2 20/20 0.73
▸ PRSS1 P07477 8/20 0.64
▸ PRSS2 P07478 7/20 0.64
▸ PRSS3 P35030 7/20 0.64
▸ F2 P00734 4/20 0.64

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
SCHEMBL7447227 0.87 TPSAB1 (0.70) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7425638 0.85 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7447628 0.82 TPSAB1 (0.94) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7448443 0.81 TPSAB1 (0.94) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7447144 0.81 TPSAB1 (0.77) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7958531 0.80 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7504599 0.76 TPSAB1 (0.52) TPSAB1TPSD1TPSG1PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7444123 0.75 TPSAB1 (0.72) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7962399 0.75 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7446751 0.75 TPSAB1 (0.66) TPSAB1TPSD1TPSG1PRSS1PRSS2

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
EP-0934293-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1999-08-11 — — EP disclosed
WO-1998004537-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1998-02-05 — — WO disclosed