SCHEMBL7965007

SCHEMBL7965007

N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)OCC34CCC(COC(=O)N5CCN(C(=O)NCc6ccc(NC(=N)N)cc6)CC5)(CC3)CC4)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 15/20 0.69
TPSG1 Q9NRR2 14/20 0.69
TPSD1 Q9BZJ3 13/20 0.69
PRSS1 P07477 11/20 0.69
PLG P00747 1/20 0.69
F2 P00734 2/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
MAPT P10636 2/20 0.46
ABL1 P00519 1/20 0.46
POLB P06746 1/20 0.46
RIN1 Q13671 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL7421494 0.91 TPSAB1 (0.57) TPSAB1TPSG1TPSD1PRSS1PLG
SCHEMBL7554479 0.86 TPSAB1 (0.53) TPSAB1TPSG1TPSD1PRSS1PLG
SCHEMBL7421119 0.84 TPSG1 (0.69) TPSAB1TPSG1TPSD1PRSS1PLG
SCHEMBL7419019 0.81 MEN1 (0.52) TPSAB1TPSG1TPSD1PRSS1PLG
SCHEMBL7424872 0.81 TPSAB1 (0.53) TPSAB1TPSG1TPSD1PRSS1F2
SCHEMBL7421440 0.81 TPSG1 (0.71) TPSAB1TPSG1TPSD1PRSS1PLG
SCHEMBL7415218 0.80 TPSAB1 (0.77) TPSAB1TPSG1TPSD1PRSS1PLG
SCHEMBL7436458 0.80 TPSAB1 (0.48) TPSAB1TPSG1TPSD1PRSS1PLG
SCHEMBL7506036 0.78 TPSAB1 (0.65) TPSAB1TPSG1TPSD1PRSS1F2
SCHEMBL7418802 0.78 TPSAB1 (0.44) TPSAB1TPSG1TPSD1PRSS1PLG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6022969-A Compositions and methods for treating mast-cell mediated conditions AXYS PHARMACEUTICALS, INC. (US) 2000-02-08 US claimed
US-6211228-B1 COMPOUNDS WITH AMINO, GUANIDINO AND AMIDINO HETEROCYCLIC COMPOUNDS AXYS PHARMACEUTICALS, INC 2001-04-03 US disclosed
US-6022969-A Compositions and methods for treating mast-cell mediated conditions AXYS PHARMACEUTICALS, INC. (US) 2000-02-08 US disclosed