SCHEMBL3346264

SCHEMBL3346264

CC(C)c1cc(-c2ccsc2)cc(N2CCN(C)CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 1.00
DRD2 P14416 4/20 1.00
HRH4 Q9H3N8 7/20 0.48
HRH1 P35367 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
RIPK3 Q9Y572 1/20 0.43
FYN P06241 1/20 0.40

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
Fumaric Acid SCHEMBL3374733 0.90 HTR6 (0.81) HTR6DRD2HRH4HRH1HRH3
Fumaric Acid SCHEMBL3374740 0.90 HTR6 (0.81) HTR6DRD2HRH4HRH1HRH3
SCHEMBL3347950 0.82 HTR6 (1.00) HTR6DRD2HRH4HRH1HRH3
SCHEMBL3353048 0.79 HTR6 (0.73) HTR6DRD2HRH4HRH1HRH3
SCHEMBL3381026 0.79 HTR6 (0.70) HTR6DRD2HRH4HRH1HRH3
SCHEMBL3346313 0.79 HTR6 (0.78) HTR6DRD2HRH4HRH1HRH3
SCHEMBL2384691 0.76 HTR6 (0.66) HTR6DRD2HRH4HRH1HRH3
SCHEMBL3374828 0.75 HTR6 (1.00) HTR6DRD2HRH4HRH1HRH3
SCHEMBL3346193 0.75 HTR6 (1.00) HTR6DRD2HRH4HRH1HRH3
SCHEMBL3347802 0.74 HTR6 (0.93) 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