SCHEMBL8044306

SCHEMBL8044306

COC(=O)CCN1CC2(CCN(C(=O)c3ccc(C#Cc4ccccc4)o3)CC2)c2cc(C=N)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 13/20 0.52
PRSS2 P07478 13/20 0.52
PRSS3 P35030 13/20 0.52
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
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRNA4 P43681 1/20 0.38
HDAC1 Q13547 3/20 0.34

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
SCHEMBL2919375 0.89 PRSS1 (0.66) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL8049961 0.83 PRSS1 (0.56) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2921569 0.81 PRSS1 (0.68) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL8048840 0.80 PRSS1 (0.62) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2915000 0.80 PRSS1 (0.71) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2919915 0.77 PRSS1 (0.73) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL8046268 0.76 PRSS1 (0.50) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3669135 0.76 PRSS1 (0.60) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3438818 0.75 PRSS1 (0.68) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3438816 0.75 PRSS1 (0.70) 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