SCHEMBL2922733

SCHEMBL2922733

O=C(c1ccc(C#Cc2ccccc2)o1)N1CCC2(CC1)CN(S(=O)(=O)O)c1ccc(CN3C(=O)c4ccccc4C3=O)cc12

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 14/20 0.66
PRSS2 P07478 14/20 0.66
PRSS3 P35030 14/20 0.66
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CHRNA4 P43681 1/20 0.39
NPY5R Q15761 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL2911159 0.87 PRSS1 (0.85) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2107314 0.83 PRSS1 (0.75) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2108898 0.82 PRSS1 (0.76) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2108654 0.81 PRSS1 (0.55) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2919117 0.81 PRSS1 (0.85) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2916087 0.80 PRSS1 (0.84) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2919978 0.80 PRSS1 (1.00) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL8050294 0.79 PRSS1 (0.61) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109951 0.79 PRSS1 (0.52) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2921545 0.78 PRSS1 (0.79) PRSS1PRSS2PRSS3MAOAMAOB

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-2224803-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2010-09-08 EP disclosed
WO-2009067202-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-28 WO disclosed