SCHEMBL8312441

SCHEMBL8312441

CC(=O)OC1CCCCc2ccc(N)cc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 6/20 0.47
DRD2 P14416 6/20 0.47
HTR7 P34969 6/20 0.47
BRD4 O60885 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
ACHE P22303 2/20 0.38
IDO1 P14902 2/20 0.36

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
SCHEMBL6811167 0.96 CHRM4 (0.50) CHRM4DRD2HTR7BRD4ATAD2
SCHEMBL8307649 0.90 CHRM4 (0.49) CHRM4DRD2HTR7BRD4ATAD2
SCHEMBL8312961 0.79 HSP90AA1 (0.46) CHRM4DRD2HTR7
SCHEMBL4455923 0.76 IDO1 (0.58) CHRM4DRD2HTR7IDO1
SCHEMBL30290988 0.76 IDO1 (0.58) CHRM4DRD2HTR7IDO1
SCHEMBL6987694 0.75 MTNR1A (0.52) CHRM4DRD2HTR7
SCHEMBL8308233 0.74 CHRM4 (0.47) CHRM4DRD2HTR7
SCHEMBL10286869 0.74 CHRM4 (0.35) CHRM4DRD2HTR7BRD4ATAD2
SCHEMBL6190630 0.73 BRD4 (0.40) CHRM4DRD2HTR7BRD4ATAD2
SCHEMBL25904940 0.73 DRD2 (0.50) CHRM4DRD2HTR7

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-2004087124-A1 COMPOUNDS HAVING SEROTONIN 5-HT17 RECEPTOR ANTAGONIST ACTIVITY AND MUSCARINIC M4 RECEPTOR AGONIST ACTIVITY AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MITSUBISHI PHARMA CORPORATION (JP) 2004-10-14 WO disclosed