SCHEMBL8918221

SCHEMBL8918221

O=C1Cc2sc(C(=O)CN3CCC(c4noc5cc(F)ccc45)CC3)cc2CN1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.50
HTR2C P28335 8/20 0.49
DRD2 P14416 3/20 0.49
SLC6A4 P31645 1/20 0.49
HTR1A P08908 2/20 0.49
HTR2A P28223 2/20 0.49
HRH1 P35367 2/20 0.49
DRD3 P35462 2/20 0.49
HTR6 P50406 2/20 0.49
KCNH2 Q12809 2/20 0.49
ADRA1A P35348 1/20 0.49
DRD1 P21728 1/20 0.48

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
SCHEMBL8917083 0.94 ACHE (0.50) ACHEHTR2CDRD2SLC6A4HTR1A
SCHEMBL8917276 0.91 HTR2C (0.58) ACHEHTR2CDRD2SLC6A4HTR1A
SCHEMBL8917771 0.85 DRD2 (0.58) ACHEHTR2CDRD2SLC6A4HTR1A
SCHEMBL8916506 0.82 ACHE (0.52) ACHEHTR2CDRD2SLC6A4HTR1A
SCHEMBL8916842 0.81 DRD2 (0.53) ACHEHTR2CDRD2SLC6A4HTR1A
SCHEMBL8917275 0.80 DRD2 (0.51) ACHEHTR2CDRD2SLC6A4HTR1A
SCHEMBL8916604 0.76 HTR6 (0.64) ACHEHTR2CDRD2SLC6A4HTR1A
SCHEMBL8916867 0.75 DRD2 (0.61) ACHEHTR2CDRD2SLC6A4HTR1A
SCHEMBL1546057 0.75 ACHE (0.68) ACHEDRD2SLC6A4HTR2ADRD3
SCHEMBL1545554 0.75 DRD2 (0.70) 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 3 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
EP-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP disclosed