SCHEMBL22048835

SCHEMBL22048835

CC1CC(C)C(CN(C)C)C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31

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
SCHEMBL21391733 0.89
SCHEMBL18998457 0.89
SCHEMBL22642770 0.76 TRPA1 (0.34)
SCHEMBL26786203 0.76
SCHEMBL22048897 0.76
SCHEMBL22643069 0.75
SCHEMBL21185244 0.73
SCHEMBL25832188 0.73 TRPA1 (0.36)
SCHEMBL22811147 0.70
SCHEMBL18348230 0.70

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024126876-A2 ANTIMICROBIAL COMPOUNDS FOR ORAL CARE CLARIANT INTERNATIONAL LTD (CH) 2024-06-20 WO disclosed
WO-2023227802-A1 ANTIMICROBIAL COMBINATIONS CLARIANT INTERNATIONAL LTD (CH) 2023-11-30 WO disclosed
EP-3735827-A1 COMPOSITION FOR INHIBITING MICRO-ORGANISMS Clariant International Ltd (CH) 2020-11-11 EP disclosed
EP-3478067-B1 COMPOSITION COMPRISING A CYCLIC GLUCAMAMIDE FOR INHIBITING MICRO-ORGANISMS CLARIANT INT LTD (CH) 2020-06-03 EP disclosed