SCHEMBL8046258

SCHEMBL8046258

COC(=O)c1cccc(C(=O)N2CC3(CCN(C(=O)c4ccc(C#Cc5ccccc5)o4)CC3)c3cc(CN(C)C)ccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 12/20 0.53
PRSS2 P07478 12/20 0.53
PRSS3 P35030 12/20 0.53
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CHRNA4 P43681 1/20 0.37
HDAC1 Q13547 1/20 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
SCHEMBL2912955 0.91 PRSS1 (0.64) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3438816 0.80 PRSS1 (0.70) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2920809 0.79 PRSS1 (0.81) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3654666 0.79 PRSS1 (0.57) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3438823 0.77 PRSS1 (0.73) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL15255516 0.76 PRSS1 (0.79) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3438817 0.76 PRSS1 (0.74) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3438819 0.75 PRSS1 (0.67) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2919375 0.74 PRSS1 (0.66) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2921569 0.74 PRSS1 (0.68) 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