SCHEMBL8916506

SCHEMBL8916506

O=C1CCCc2sc(C(=O)CN3CCC(c4noc5cc(F)ccc45)CC3)cc2N1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.52
DRD2 P14416 2/20 0.49
SLC6A4 P31645 1/20 0.49
HTR2C P28335 6/20 0.48
TNKS O95271 1/20 0.48
PARP1 P09874 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
HTR2A P28223 2/20 0.47
KCNH2 Q12809 2/20 0.47
HTR1A P08908 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 1/20 0.47
HTR6 P50406 1/20 0.47
HTR7 P34969 1/20 0.46

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
SCHEMBL8917216 0.91 DRD2 (0.57) ACHEDRD2SLC6A4HTR2CHTR2A
SCHEMBL8917040 0.85 ACHE (0.59) ACHEDRD2SLC6A4HTR2CHTR2A
SCHEMBL8916842 0.83 DRD2 (0.53) ACHEDRD2SLC6A4HTR2CTNKS
SCHEMBL8918221 0.82 ACHE (0.50) ACHEDRD2SLC6A4HTR2CHTR2A
SCHEMBL8917083 0.82 ACHE (0.50) ACHEDRD2SLC6A4HTR2CHTR2A
SCHEMBL8917433 0.81 ACHE (0.54) ACHEDRD2SLC6A4HTR2CHTR2A
SCHEMBL8917228 0.80 ACHE (0.53) ACHEDRD2SLC6A4HTR2CHTR2A
SCHEMBL8920476 0.79 ACHE (0.52) ACHEDRD2SLC6A4HTR2CHTR2A
SCHEMBL8917275 0.78 DRD2 (0.51) ACHEDRD2SLC6A4HTR2CHTR2A
SCHEMBL8917553 0.77 DRD2 (0.55) ACHEDRD2SLC6A4HTR2CHTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed