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SCHEMBL7447693

SCHEMBL7447693

N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)NCc5ccc(NC(=N)N)cc5)CC4)CCC3)CC2)cc1.O=C(O)N1CCN(C(=O)CCCC2CCNCC2)CC1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 19/20 0.78
▸ TPSD1 Q9BZJ3 19/20 0.78
▸ TPSG1 Q9NRR2 19/20 0.78
▸ PRSS1 P07477 10/20 0.78
▸ PRSS2 P07478 7/20 0.78
▸ PRSS3 P35030 7/20 0.78
▸ F2 P00734 6/20 0.59

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
SCHEMBL7445239 0.93 TPSAB1 (0.67) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7550052 0.92 TPSAB1 (0.65) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7446613 0.91 TPSAB1 (0.94) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7501011 0.91 TPSAB1 (0.63) TPSAB1TPSD1TPSG1PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7444123 0.88 TPSAB1 (0.72) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7447144 0.87 TPSAB1 (0.77) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7448042 0.87 TPSAB1 (0.68) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7447705 0.83 TPSAB1 (0.67) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7415218 0.83 TPSAB1 (0.77) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7506394 0.83 TPSAB1 (0.61) 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