SCHEMBL7543760

SCHEMBL7543760

N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)O)[C@]3(C2)C2CCC[C@H]3CCC2)cc1.O=C(O)N1CCN(C(=O)CCCCc2c[nH]cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 16/20 0.37
TPSD1 Q9BZJ3 16/20 0.37
TPSG1 Q9NRR2 16/20 0.37
PRSS1 P07477 8/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
F2 P00734 1/20 0.33
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL7549698 0.91 TPSAB1 (0.32) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7498048 0.83 TPSAB1 (0.45) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7452526 0.76 TPSAB1 (0.63) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7543840 0.74 TPSAB1 (0.53) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7579428 0.73 TPSAB1 (0.41) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7503667 0.73 F2 (0.58) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7506036 0.72 TPSAB1 (0.65) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7499097 0.71 TPSAB1 (0.66) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7504794 0.71 TPSAB1 (0.66) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7508800 0.71 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