SCHEMBL9054627

SCHEMBL9054627

CCOC(=O)CN(C(=O)[C@H](CCC(N)c1ncc[nH]1)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR10 P46092 15/20 0.39
PDE2A O00408 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
PYGL P06737 1/20 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
SCHEMBL9054354 0.96 CCR10 (0.40) CCR10
SCHEMBL9057599 0.90 CCR10 (0.40) CCR10
SCHEMBL9055073 0.90 CCR10 (0.40) CCR10
SCHEMBL9055734 0.86 CCR10 (0.37) CCR10PDE2APDE3BPDE3AP2RY12
SCHEMBL9055585 0.86 CCR10 (0.37) CCR10PDE2APDE3BPDE3AP2RY12
SCHEMBL9056575 0.86 CCR10 (0.41) CCR10
SCHEMBL9054485 0.85 CCR10 (0.37) CCR10
SCHEMBL9055396 0.84 CCR10 (0.37) CCR10
SCHEMBL9055832 0.78 CCR10 (0.44) CCR10
SCHEMBL9056601 0.77 SLC16A3 (0.34) PDE2APDE3BPDE3AP2RY12

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