SCHEMBL7554479

SCHEMBL7554479

N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)OCCCCCOC(=O)N3CCN(C(=O)NCc4ccc(NC(=N)N)cc4)CC3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 17/20 0.53
TPSG1 Q9NRR2 16/20 0.53
TPSD1 Q9BZJ3 15/20 0.53
PRSS1 P07477 14/20 0.53
PLG P00747 1/20 0.50
F2 P00734 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
ABL1 P00519 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
RIN1 Q13671 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL7421494 0.87 TPSAB1 (0.57) TPSAB1TPSG1TPSD1PRSS1PLG
SCHEMBL7965007 0.86 TPSAB1 (0.69) TPSAB1TPSG1TPSD1PRSS1PLG
SCHEMBL7421119 0.85 TPSG1 (0.69) TPSAB1TPSG1TPSD1PRSS1PLG
SCHEMBL7499097 0.83 TPSAB1 (0.66) TPSAB1TPSG1TPSD1PRSS1F2
SCHEMBL7570914 0.83 TPSAB1 (0.66) TPSAB1TPSG1TPSD1PRSS1F2
SCHEMBL7508800 0.83 TPSAB1 (0.66) TPSAB1TPSG1TPSD1PRSS1F2
SCHEMBL7504794 0.83 TPSAB1 (0.66) TPSAB1TPSG1TPSD1PRSS1F2
SCHEMBL7419019 0.82 MEN1 (0.52) TPSAB1TPSG1TPSD1PRSS1PLG
SCHEMBL7424872 0.82 TPSAB1 (0.53) TPSAB1TPSG1TPSD1PRSS1F2
SCHEMBL7506036 0.81 TPSAB1 (0.65) TPSAB1TPSG1TPSD1PRSS1F2

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 claimed
WO-1998004537-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1998-02-05 WO claimed