SCHEMBL8920261

SCHEMBL8920261

O=C1NCCCc2sc([S+]([O-])CCCN3CCC(c4noc5cc(F)ccc45)CC3)cc21

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.58
ACHE P22303 2/20 0.52
HTR2C P28335 4/20 0.51
HTR2A P28223 2/20 0.49
SLC6A4 P31645 1/20 0.49
HTR1A P08908 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
SCHEMBL8917266 0.86 DRD2 (0.61) DRD2ACHEHTR2CHTR2ASLC6A4
SCHEMBL8916437 0.85 DRD2 (0.59) DRD2ACHEHTR2CHTR2ASLC6A4
SCHEMBL8920476 0.85 ACHE (0.52) DRD2ACHEHTR2CHTR2ASLC6A4
SCHEMBL8916656 0.84 DRD2 (0.58) DRD2ACHEHTR2CHTR2ASLC6A4
SCHEMBL8917307 0.84 DRD2 (0.58) DRD2ACHEHTR2CHTR2ASLC6A4
SCHEMBL8918516 0.84 DRD2 (0.58) DRD2ACHEHTR2CHTR2ASLC6A4
SCHEMBL8917156 0.84 DRD2 (0.58) DRD2ACHEHTR2CHTR2AHTR1A
SCHEMBL8916514 0.84 ACHE (0.51) DRD2ACHEHTR2CHTR2ASLC6A4
SCHEMBL8916842 0.80 DRD2 (0.53) DRD2ACHEHTR2CHTR2ASLC6A4
SCHEMBL8919173 0.76 ACHE (0.58) DRD2ACHEHTR2CHTR2ASLC6A4

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