SCHEMBL7436458

SCHEMBL7436458

N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)OC(=O)C(F)(F)F)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 15/20 0.48
TPSG1 Q9NRR2 14/20 0.48
TPSD1 Q9BZJ3 13/20 0.48
PRSS1 P07477 11/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
F2 P00734 2/20 0.48
PLG P00747 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
Trifluoroacetic Acid SCHEMBL7436446 0.84 TPSAB1 (0.47) TPSAB1TPSG1TPSD1PRSS1PRSS2
SCHEMBL7419019 0.83 MEN1 (0.52) TPSAB1TPSG1TPSD1PRSS1PRSS2
SCHEMBL7554479 0.81 TPSAB1 (0.53) TPSAB1TPSG1TPSD1PRSS1PRSS2
SCHEMBL7424872 0.81 TPSAB1 (0.53) TPSAB1TPSG1TPSD1PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7422430 0.80 POLB (0.44) TPSAB1TPSG1TPSD1PRSS1PRSS2
SCHEMBL7965007 0.80 TPSAB1 (0.69) TPSAB1TPSG1TPSD1PRSS1PRSS2
SCHEMBL7415218 0.79 TPSAB1 (0.77) TPSAB1TPSG1TPSD1PRSS1PRSS2
SCHEMBL7421119 0.79 TPSG1 (0.69) TPSAB1TPSG1TPSD1PRSS1PRSS2
SCHEMBL1669277 0.78 TPSAB1 (0.40) TPSAB1TPSG1TPSD1PRSS1PRSS2
SCHEMBL7506036 0.78 TPSAB1 (0.65) TPSAB1TPSG1TPSD1PRSS1PRSS2

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