SCHEMBL8048840

SCHEMBL8048840

CS(=O)(=O)CS(=O)(=O)N1CC2(CCN(C(=O)c3ccc(C#Cc4ccccc4)o3)CC2)c2cc(C=N)ccc21

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 12/20 0.62
PRSS2 P07478 12/20 0.62
PRSS3 P35030 12/20 0.62
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
NPY5R Q15761 3/20 0.38
CHRNA4 P43681 1/20 0.38
TACR1 P25103 2/20 0.36

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
SCHEMBL2921545 0.89 PRSS1 (0.79) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL8049961 0.84 PRSS1 (0.56) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2916087 0.81 PRSS1 (0.84) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL8044306 0.80 PRSS1 (0.52) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2919117 0.78 PRSS1 (0.85) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2911159 0.78 PRSS1 (0.85) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3438824 0.78 PRSS1 (0.74) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2919978 0.77 PRSS1 (1.00) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL4240874 0.77 PRSS1 (0.74) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL8046268 0.77 PRSS1 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009067202-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-28 WO disclosed