SCHEMBL8054572

SCHEMBL8054572

O=Cc1ccccc1C(=O)NCc1ccc2c(c1)C1(CCN(C(=O)c3ccc(C#Cc4ccccc4)o3)CC1)CO2

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 15/20 0.69
PRSS2 P07478 15/20 0.69
PRSS3 P35030 15/20 0.69
MAOA P21397 1/20 0.69
MAOB P27338 1/20 0.69
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 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CHRNA4 P43681 1/20 0.40

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
SCHEMBL8051630 0.89 PRSS1 (0.68) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL8033994 0.87 PRSS1 (0.51) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109847 0.87 PRSS1 (0.77) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3678665 0.86 PRSS1 (0.68) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3438811 0.86 PRSS1 (0.81) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL8050294 0.84 PRSS1 (0.61) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3438812 0.84 PRSS1 (0.77) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL8051350 0.83 PRSS1 (0.47) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3438852 0.82 PRSS1 (0.83) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2110650 0.82 PRSS1 (1.00) 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
US-8536189-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US disclosed
WO-2009067202-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-28 WO disclosed