SCHEMBL7447658

SCHEMBL7447658

N=C(N)c1ccc(CC(=O)N2CCN(C(=O)O)CC2)cc1.O=C(O)N1CCN(C(=O)NCCC2CCNCC2)CC1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 18/20 0.76
TPSD1 Q9BZJ3 14/20 0.76
TPSG1 Q9NRR2 14/20 0.76
PRSS1 P07477 11/20 0.76
PRSS2 P07478 8/20 0.76
PRSS3 P35030 8/20 0.76
F2 P00734 7/20 0.76
PLG P00747 1/20 0.48
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL7447628 0.91 TPSAB1 (0.94) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7447665 0.91 TPSAB1 (0.82) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7443913 0.89 TPSAB1 (0.61) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7444912 0.84 TPSAB1 (0.77) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7452959 0.81 TPSAB1 (0.61) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7447144 0.81 TPSAB1 (0.77) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7443916 0.80 TPSAB1 (0.67) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7446751 0.80 TPSAB1 (0.66) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7448443 0.77 TPSAB1 (0.94) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7441982 0.77 TPSAB1 (0.77) 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