SCHEMBL3350651

SCHEMBL3350651

Cc1cc(-c2csc3ccccc23)cc(N2CCN(C)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.57
HTR6 P50406 2/20 0.57
KMT2A Q03164 1/20 0.48
ACVRL1 P37023 1/20 0.46
ACVR1 Q04771 1/20 0.46
HTR3A P46098 6/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
TLR9 Q9NR96 2/20 0.41
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
HRH4 Q9H3N8 2/20 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
Fumaric Acid SCHEMBL3380807 0.91 DRD2 (0.48) DRD2HTR6KMT2AACVRL1ACVR1
Fumaric Acid SCHEMBL3380801 0.91 DRD2 (0.48) DRD2HTR6KMT2AACVRL1ACVR1
SCHEMBL3349828 0.76 HTR6 (0.68) DRD2HTR6KMT2AHTR3AHTR3E
SCHEMBL3347895 0.75 DRD2 (0.61) DRD2HTR6KMT2AHTR3AHTR3E
SCHEMBL3346261 0.74 CYP1A2 (0.57) DRD2HTR6KMT2AHTR3AHTR3E
SCHEMBL3347950 0.73 HTR6 (1.00) DRD2HTR6KMT2AHTR3AHTR3E
SCHEMBL2385570 0.71 HRH4 (0.51) ACVRL1ACVR1HTR3AHRH4
SCHEMBL2384574 0.70 HRH4 (0.55) KMT2AACVRL1ACVR1HTR3AHRH4
SCHEMBL3346394 0.69 DRD2 (0.64) DRD2HTR6KMT2AHTR3AHTR3E
SCHEMBL29487326 0.68 HTR3A (0.41) HTR6ACVRL1ACVR1HTR3AHTR3E

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