SCHEMBL8044140

SCHEMBL8044140

COc1ccc(CC(=O)N2CCC3(CC2)COc2ccc(CN)cc23)cc1I

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 0.56
PRSS2 P07478 11/20 0.56
PRSS3 P35030 11/20 0.56
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
HTT P42858 1/20 0.44

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
SCHEMBL2110346 0.92 PRSS1 (0.58) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109599 0.90 PRSS1 (0.57) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109416 0.87 PRSS1 (0.60) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109870 0.86 PRSS1 (0.58) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2110266 0.85 PRSS1 (0.58) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109212 0.85 PRSS1 (0.56) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2110015 0.85 PRSS1 (0.58) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2110931 0.82 PRSS1 (0.57) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109719 0.81 PRSS1 (0.68) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109732 0.81 PRSS1 (0.58) 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