SCHEMBL8412342

SCHEMBL8412342

CCN1C(N2CCC(c3noc4cc(F)ccc34)CC2)C2(OCCO2)c2ccccc2S1(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.49
SLC6A4 P31645 1/20 0.49
ACHE P22303 2/20 0.45
HTR2A P28223 8/20 0.45
HTR1A P08908 1/20 0.44
HTR7 P34969 4/20 0.43
KCNH2 Q12809 4/20 0.43
HTR2C P28335 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL8412376 0.94 DRD2 (0.54) DRD2SLC6A4ACHEHTR2AHTR1A
SCHEMBL8412321 0.79 DRD2 (0.36) DRD2SLC6A4HTR2AHTR1AHTR7
SCHEMBL7000199 0.75 ACHE (0.57) DRD2SLC6A4ACHEHTR2AHTR1A
SCHEMBL6996785 0.74 ACHE (0.53) DRD2SLC6A4ACHEHTR2AHTR1A
SCHEMBL18432239 0.71 DRD2 (0.82) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL8410575 0.70 HTR7 (0.38) DRD2SLC6A4HTR2AHTR1AHTR7
SCHEMBL8412306 0.70 HTR7 (0.41) DRD2HTR7
SCHEMBL7964524 0.69 DRD2 (0.75) DRD2SLC6A4ACHEHTR2AHTR1A
SCHEMBL8412315 0.69 HTR7 (0.39) DRD2SLC6A4HTR2AHTR1AHTR7
SCHEMBL7360772 0.68 DRD2 (0.53) DRD2SLC6A4ACHEHTR2AHTR1A

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