SCHEMBL28504239

SCHEMBL28504239

NN1CCC(CCN2CCC(c3noc4cc(F)ccc34)CC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.71
DRD2 P14416 1/20 0.69
SLC6A4 P31645 1/20 0.69
HTR2A P28223 10/20 0.67
DRD3 P35462 10/20 0.67

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
SCHEMBL3249919 0.89 ACHE (0.71) ACHEDRD2SLC6A4HTR2ADRD3
SCHEMBL604085 0.89 ACHE (0.71) ACHEDRD2SLC6A4HTR2ADRD3
SCHEMBL1545611 0.86 ACHE (0.93) ACHEDRD2SLC6A4HTR2ADRD3
SCHEMBL604059 0.85 HTR2A (0.73) ACHEDRD2SLC6A4HTR2ADRD3
SCHEMBL604841 0.85 HTR2A (0.73) ACHEDRD2SLC6A4HTR2ADRD3
SCHEMBL606612 0.85 HTR2A (0.73) ACHEDRD2SLC6A4HTR2ADRD3
SCHEMBL3240892 0.85 HTR2A (0.73) ACHEDRD2SLC6A4HTR2ADRD3
SCHEMBL9532457 0.84 ACHE (0.77) ACHEDRD2SLC6A4HTR2ADRD3
SCHEMBL7722977 0.84 ACHE (0.80) ACHEDRD2SLC6A4HTR2ADRD3
SCHEMBL793025 0.84 ACHE (0.80) ACHEDRD2SLC6A4HTR2ADRD3

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
CN-107793408-B Piperidine amino derivatives and their use for the treatment of schizophrenia 上海医药工业研究院 2020-12-08 CN disclosed