SCHEMBL9055359

SCHEMBL9055359

C[C@@H]1CCCCN1C(=O)[C@H](CCCNc1ncc[nH]1)NS(=O)(=O)c1cccc2c1CCNC2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR10 P46092 1/20 0.46
F2 P00734 9/20 0.43
PRSS1 P07477 2/20 0.38
F10 P00742 2/20 0.38
LMNA P02545 1/20 0.38
PLAT P00750 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL9055578 0.86 F2 (0.40) CCR10F2F10
SCHEMBL9064129 0.86 F2 (0.52) F2PRSS1F10LMNAPLAT
SCHEMBL9064283 0.86 F2 (0.50) F2PRSS1F10LMNAPLAT
SCHEMBL9055891 0.85 F2 (0.40) CCR10F2F10
SCHEMBL9055274 0.84 F2 (0.44) F2PRSS1F10LMNAPLAT
SCHEMBL9055156 0.83 F2 (0.41) CCR10F2F10
SCHEMBL9058550 0.75 F2 (0.75) F2
SCHEMBL9056463 0.74 F2 (0.44) F2PRSS1F10LMNAPLAT
SCHEMBL9055877 0.74 F2 (0.47) F2PRSS1F10LMNAPLAT
SCHEMBL9055345 0.74 F2 (0.45) CCR10F2PRSS1F10LMNA

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-1996002517-A1 SUBSTITUTED ARYLSULFONAMIDES, THEIR PREPARATION AND USE AS THROMBIN-INHIBITING MEDICAMENTS DR. KARL THOMAE GMBH (DE) 1996-02-01 WO disclosed