SCHEMBL7501688

SCHEMBL7501688

[CH2]c1ccc(C(=O)N2CCN(C(=O)NCCC3CCNCC3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 10/20 0.54
TPSD1 Q9BZJ3 9/20 0.54
TPSG1 Q9NRR2 9/20 0.54
PRSS1 P07477 6/20 0.51
PRSS2 P07478 5/20 0.51
PRSS3 P35030 5/20 0.51
F2 P00734 3/20 0.50
NAMPT P43490 2/20 0.48
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
CHRM4 P08173 2/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RBP4 P02753 1/20 0.42

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
SCHEMBL7452959 0.85 TPSAB1 (0.61) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7446751 0.77 TPSAB1 (0.66) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL12736124 0.75 TPSAB1 (0.53) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL7452781 0.74 NAMPT (0.48) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL304221 0.73 SIGMAR1 (0.68) L3MBTL3L3MBTL1
SCHEMBL7446694 0.73 TPSAB1 (0.64) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL26668519 0.72 ITGB3 (0.67) ITGB3ITGA2B
SCHEMBL7447658 0.72 TPSAB1 (0.76) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7446701 0.71 TPSAB1 (0.72) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7447665 0.71 TPSAB1 (0.82) 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