SCHEMBL8052802

SCHEMBL8052802

CCc1ccc(C(=O)N2CCC3(CC2)COc2ccc(CN)cc23)cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 12/20 0.60
PRSS2 P07478 12/20 0.60
PRSS3 P35030 12/20 0.60
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54

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
SCHEMBL2109322 0.90 PRSS1 (0.61) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL8045760 0.90 PRSS1 (0.58) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109267 0.88 PRSS1 (0.59) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109134 0.88 PRSS1 (0.59) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2111958 0.87 PRSS1 (0.60) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2111643 0.86 PRSS1 (0.63) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109200 0.86 PRSS1 (0.59) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2110754 0.86 PRSS1 (0.59) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109387 0.85 PRSS1 (0.62) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2110026 0.84 PRSS1 (0.61) 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