SCHEMBL8047634

SCHEMBL8047634

C=NCc1ccc2c(c1)C1(CCNCC1)CN2S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33

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
SCHEMBL3672390 0.68 PRSS1 (0.47) NPY5RPRSS1PRSS2PRSS3
SCHEMBL6544408 0.67 NOTUM (0.41) NPY5R
SCHEMBL736523 0.67 AKT1 (0.44) NPY5R
SCHEMBL6543311 0.66 AKT1 (0.46) NPY5R
SCHEMBL6544534 0.66 NOTUM (0.48) NPY5R
SCHEMBL29661970 0.66 AKT1 (0.46) NPY5R
Hydrochloric Acid SCHEMBL6215953 0.66 AKT1 (0.43) NPY5R
Hydrochloric Acid SCHEMBL6218341 0.65 AKT1 (0.45) NPY5R
Hydrochloric Acid SCHEMBL1760929 0.65 NOTUM (0.47) NPY5R
SCHEMBL29662021 0.64 AKT1 (0.44)

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