SCHEMBL8412376

SCHEMBL8412376

CCCN1C(N2CCC(c3noc4cc(F)ccc34)CC2)C2(OCCO2)c2ccccc2S1(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.54
SLC6A4 P31645 1/20 0.54
HTR2A P28223 8/20 0.47
ACHE P22303 2/20 0.46
HTR7 P34969 5/20 0.45
KCNH2 Q12809 5/20 0.45
HTR1A P08908 1/20 0.44
DRD3 P35462 1/20 0.43

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
SCHEMBL8412342 0.94 DRD2 (0.49) DRD2SLC6A4HTR2AACHEHTR7
SCHEMBL8412321 0.85 DRD2 (0.36) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL8410575 0.77 HTR7 (0.38) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL7000199 0.76 ACHE (0.57) DRD2SLC6A4HTR2AACHEHTR7
SCHEMBL6996785 0.74 ACHE (0.53) DRD2SLC6A4HTR2AACHEHTR7
SCHEMBL8410568 0.73 HSD17B10 (0.38) DRD2HTR2AHTR7HTR1A
SCHEMBL8412315 0.73 HTR7 (0.39) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL8413215 0.72 HTR1A (0.38) DRD2HTR2AHTR7HTR1ADRD3
SCHEMBL8413058 0.70 HTR7 (0.36) DRD2HTR7
SCHEMBL7964524 0.70 DRD2 (0.75) DRD2SLC6A4HTR2AACHEHTR7

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
US-5874429-A ANTIISCHEMIC AGENTS; CEREBROVASCULAR DISORDERS; CIRCULATORY IDSORDERS SUNTORY LIMITED (JP) 1999-02-23 US disclosed