SCHEMBL7579428

SCHEMBL7579428

N=C(N)Nc1ccc(CC(=O)N2CCN(C(=O)O)[C@]3(C2)C2CCC[C@H]3CCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 4/20 0.41
TPSD1 Q9BZJ3 4/20 0.41
TPSG1 Q9NRR2 4/20 0.41
PRSS1 P07477 3/20 0.41
F2 P00734 2/20 0.41
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
HSD11B1 P28845 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MLNR O43193 1/20 0.33
CYP3A4 P08684 1/20 0.33
NR4A1 P22736 1/20 0.33
GFER P55789 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL7498048 0.86 TPSAB1 (0.45) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7549698 0.82 TPSAB1 (0.32) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7419360 0.78 NAMPT (0.49) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7503667 0.74 F2 (0.58) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7422920 0.74 TPSAB1 (0.74) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7543760 0.73 TPSAB1 (0.37) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7495608 0.68 TPSAB1 (0.57) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7443913 0.67 TPSAB1 (0.61) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL4099538 0.65 KMT2A (0.57) ALDH1A1KDM4EPOLBL3MBTL1SMN1; SMN2
SCHEMBL7424872 0.64 TPSAB1 (0.53) 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
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