SCHEMBL7444963

SCHEMBL7444963

N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)CCCCCN3CCN(C(N)=O)CC3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 11/20 0.56
TPSD1 Q9BZJ3 9/20 0.56
TPSG1 Q9NRR2 9/20 0.56
PRSS1 P07477 7/20 0.56
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
STS P08842 3/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
FAAH O00519 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CACNA1G O43497 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
F2 P00734 1/20 0.39

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
SCHEMBL7447350 0.94 TPSAB1 (0.62) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7446634 0.94 TPSAB1 (0.62) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7506910 0.94 TPSAB1 (0.62) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7499097 0.91 TPSAB1 (0.66) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7508800 0.91 TPSAB1 (0.66) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7570914 0.91 TPSAB1 (0.66) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7504794 0.91 TPSAB1 (0.66) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7506036 0.90 TPSAB1 (0.65) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7451495 0.81 TPSAB1 (0.65) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL7424872 0.77 TPSAB1 (0.53) 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