SCHEMBL3374828

SCHEMBL3374828

CCCCc1cc(-c2ccsc2)cc(N2CCN(C)CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 1.00
DRD2 P14416 5/20 1.00
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
HTR7 P34969 1/20 0.47
HRH4 Q9H3N8 2/20 0.45
HRH1 P35367 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3347802 0.96 HTR6 (0.93) HTR6DRD2HTR1AHTR2AHTR7
SCHEMBL3346734 0.95 HTR6 (0.91) HTR6DRD2HTR1AHTR2AHTR7
Fumaric Acid SCHEMBL3431109 0.91 HTR6 (0.82) HTR6DRD2HTR1AHTR2AHTR7
Fumaric Acid SCHEMBL3431108 0.91 HTR6 (0.82) HTR6DRD2HTR1AHTR2AHTR7
Fumaric Acid SCHEMBL3376021 0.88 HTR6 (0.77) HTR6DRD2HTR1AHTR2AHTR7
Fumaric Acid SCHEMBL3376024 0.88 HTR6 (0.77) HTR6DRD2HTR1AHTR2AHTR7
SCHEMBL3346313 0.88 HTR6 (0.78) HTR6DRD2HRH4HRH1HRH3
Fumaric Acid SCHEMBL3376286 0.87 HTR6 (0.76) HTR6DRD2HTR1AHTR2AHTR7
Fumaric Acid SCHEMBL3376288 0.87 HTR6 (0.76) HTR6DRD2HTR1AHTR2AHTR7
SCHEMBL3353048 0.85 HTR6 (0.73) HTR6DRD2HRH4HRH1HRH3

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
WO-2010053388-A1 NEW 4,6-DISUBSTITUTED 2-(4-METHYLPIPERAZIN-1-YL)PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITION CONTAINING THESE COMPOUNDS, THEIR USE, A METHOD FOR MODULATING MONOAMINERGIC RECEPTOR ACTIVITY AND A MONOAMINERGIC RECEPTOR MODULATING AGENT INSTYTUT FARMAKOLOGII POLSKIEJ AKADEMII NAUK (PL) 2010-05-14 WO claimed
WO-2010053388-A1 NEW 4,6-DISUBSTITUTED 2-(4-METHYLPIPERAZIN-1-YL)PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITION CONTAINING THESE COMPOUNDS, THEIR USE, A METHOD FOR MODULATING MONOAMINERGIC RECEPTOR ACTIVITY AND A MONOAMINERGIC RECEPTOR MODULATING AGENT INSTYTUT FARMAKOLOGII POLSKIEJ AKADEMII NAUK (PL) 2010-05-14 WO disclosed
WO-2010053388-A1 NEW 4,6-DISUBSTITUTED 2-(4-METHYLPIPERAZIN-1-YL)PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITION CONTAINING THESE COMPOUNDS, THEIR USE, A METHOD FOR MODULATING MONOAMINERGIC RECEPTOR ACTIVITY AND A MONOAMINERGIC RECEPTOR MODULATING AGENT INSTYTUT FARMAKOLOGII POLSKIEJ AKADEMII NAUK (PL) 2010-05-14 WO disclosed