SCHEMBL3347950

SCHEMBL3347950

Cc1cc(-c2ccsc2)cc(N2CCN(C)CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 1.00
DRD2 P14416 4/20 1.00
HRH4 Q9H3N8 4/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
HRH1 P35367 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
RIPK3 Q9Y572 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 1/20 0.43

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
SCHEMBL3346313 0.82 HTR6 (0.78) HTR6DRD2HRH4HRH1HRH3
SCHEMBL3346264 0.82 HTR6 (1.00) HTR6DRD2HRH4HRH1HRH3
SCHEMBL3381026 0.82 HTR6 (0.70) HTR6DRD2HRH4HRH1HRH3
SCHEMBL3349828 0.81 HTR6 (0.68) HTR6DRD2HRH4HTR3EHTR3B
SCHEMBL2384691 0.79 HTR6 (0.66) HTR6DRD2HRH4HRH1HRH3
SCHEMBL3346394 0.78 DRD2 (0.64) HTR6DRD2HRH4HTR3EHTR3B
SCHEMBL3374828 0.78 HTR6 (1.00) HTR6DRD2HRH4HRH1HRH3
SCHEMBL3346193 0.78 HTR6 (1.00) HTR6DRD2HRH4HRH1HRH3
SCHEMBL19537481 0.78 DRD2 (0.61) HTR6DRD2
SCHEMBL3347802 0.77 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