SCHEMBL27365543

SCHEMBL27365543

CCCN(CC)CCC1CCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CYP1A2 P05177 1/20 0.41
BCHE P06276 13/20 0.36
ADH1A P07327 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
ADH1C P00326 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL10041305 0.91 DRD2 (0.47) DRD2DRD3CYP1A2BCHEADH1A
SCHEMBL10324879 0.86 CYP1A2 (0.50) DRD2DRD3CYP1A2BCHEADH1A
SCHEMBL10324987 0.84 CYP1A2 (0.54) DRD2DRD3CYP1A2BCHEADH1A
SCHEMBL3315286 0.84 CYP1A2 (0.46) DRD2DRD3CYP1A2BCHESIGMAR1
SCHEMBL28250076 0.82 CYP1A2 (0.50) DRD3CYP1A2BCHESIGMAR1ACHE
SCHEMBL10325779 0.82 CYP1A2 (0.50) DRD3CYP1A2BCHESIGMAR1ACHE
SCHEMBL25565980 0.80 NCF1 (0.41) DRD2DRD3BCHEACHE
SCHEMBL12319143 0.80 CYP1A2 (0.45) DRD2DRD3CYP1A2BCHEADH1A
SCHEMBL16299333 0.80 OPRM1 (0.40) DRD2DRD3CYP1A2ADH1AADH1C
SCHEMBL25739068 0.79 DRD2 (0.40) DRD2DRD3CYP1A2BCHEADH1A

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-2024054766-A2 MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER MITO BIOPHARMA, LLC (US) 2024-03-14 WO disclosed