SCHEMBL7420536

SCHEMBL7420536

NCCc1ccc(C(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)c5ccc(CCN)cc5)CC4)CCC3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 18/20 0.74
TPSD1 Q9BZJ3 18/20 0.74
TPSG1 Q9NRR2 18/20 0.74
PRSS1 P07477 8/20 0.61
F2 P00734 6/20 0.61
PLG P00747 3/20 0.61
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL7415237 0.85 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7422609 0.82 TPSAB1 (0.83) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7420672 0.80 TPSAB1 (0.49) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL23840665 0.79 HPGD (0.63) HRH3
SCHEMBL23840713 0.78 HPGD (0.67) HRH3
SCHEMBL23840708 0.77 HRH3 (0.54) HRH3
SCHEMBL7428430 0.76 TPSAB1 (1.00) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL2379445 0.76 HRH3 (0.61) HRH3
SCHEMBL17696095 0.74 CA12 (0.48) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7418203 0.74 TPSAB1 (1.00) 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 4 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
EP-0782571-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1997-07-09 EP disclosed
WO-1996009297-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1996-03-28 WO disclosed