SCHEMBL7950452

SCHEMBL7950452

NC[C@H]1CC[C@H](CNC(=O)OC2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCC(OC(=O)NC[C@H]5CC[C@H](CN)CC5)CC4)CCC3)CC2)CC1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 18/20 0.75
TPSD1 Q9BZJ3 18/20 0.75
TPSG1 Q9NRR2 18/20 0.75
PRSS1 P07477 4/20 0.53
F2 P00734 3/20 0.53
PRSS2 P07478 2/20 0.53
PRSS3 P35030 2/20 0.53
PLG P00747 1/20 0.53
CYP2D6 P10635 1/20 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
SCHEMBL7420561 0.86 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL21813576 0.78 TPSAB1 (0.44) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL31512307 0.77 EPHX1 (0.61) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL30845393 0.76 KDM4E (0.56) TPSAB1TPSD1TPSG1
SCHEMBL7420226 0.76 TPSAB1 (0.66) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7467751 0.74 TPSAB1 (0.62) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7962399 0.72 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7481954 0.72 TPSAB1 (0.80) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7419760 0.71 TPSAB1 (0.59) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7421217 0.70 TPSAB1 (0.44) TPSAB1TPSD1TPSG1PRSS1F2

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
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