SCHEMBL7446701

SCHEMBL7446701

O=C(NCCC1CCNCC1)N1CCN(C(=O)OC(=O)N2CCCCC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 11/20 0.72
TPSD1 Q9BZJ3 11/20 0.72
TPSG1 Q9NRR2 11/20 0.72
PRSS1 P07477 6/20 0.52
PRSS2 P07478 5/20 0.52
PRSS3 P35030 5/20 0.52
F2 P00734 3/20 0.51
ITGB3 P05106 7/20 0.45
ITGA2B P08514 7/20 0.45
F2R P25116 7/20 0.45
NAMPT P43490 1/20 0.44
SIGMAR1 Q99720 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
SCHEMBL7446694 0.87 TPSAB1 (0.64) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7446751 0.81 TPSAB1 (0.66) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL8396720 0.80 TPSAB1 (0.52) TPSAB1TPSD1TPSG1SIGMAR1
SCHEMBL8392284 0.79 TPSAB1 (0.55) TPSAB1TPSD1TPSG1SIGMAR1
SCHEMBL8394481 0.79 EPHX1 (0.53) TPSAB1TPSD1TPSG1SIGMAR1
SCHEMBL8391573 0.79 EPHX1 (0.53) TPSAB1TPSD1TPSG1SIGMAR1
SCHEMBL8396002 0.79 EPHX1 (0.53) TPSAB1TPSD1TPSG1SIGMAR1
SCHEMBL8391395 0.79 EPHX1 (0.53) TPSAB1TPSD1TPSG1SIGMAR1
SCHEMBL8395303 0.79 EPHX1 (0.53) TPSAB1TPSD1TPSG1SIGMAR1
SCHEMBL8396537 0.79 TPSAB1 (0.54) TPSAB1TPSD1TPSG1

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