SCHEMBL6817355

SCHEMBL6817355

CN(C)CCOc1cn(C(=O)c2ccccc2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.52
HTR1B P28222 2/20 0.52
HTR7 P34969 2/20 0.52
HTR1A P08908 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1F P30939 1/20 0.52
KMT2A Q03164 7/20 0.51
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 6/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
DYRK1A Q13627 1/20 0.45
MEN1 O00255 2/20 0.43
PTGS2 P35354 1/20 0.42
POLB P06746 2/20 0.42
HRH1 P35367 1/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL6820991 0.86 HTR6 (0.52) HTR6HTR1BHTR7HTR1AHTR1D
SCHEMBL6820240 0.86 HTR6 (0.52) HTR6HTR1BHTR7HTR1AHTR1D
SCHEMBL3552548 0.86 HTR1B (0.48) HTR6HTR1BHTR7KMT2AALDH1A1
SCHEMBL6817332 0.85 HTR6 (0.70) HTR6HTR1BHTR7HTR1AHTR1D
SCHEMBL6922481 0.83 HTR7 (0.49) HTR6HTR1BHTR7KMT2AALDH1A1
SCHEMBL24877919 0.78 HTR6 (0.76) HTR6HTR1BHTR7HTR1AHTR1D
SCHEMBL28466414 0.78 KMT2A (0.54) HTR6HTR1BHTR7HTR1AHTR1D
SCHEMBL30485872 0.78 HTR6 (0.76) HTR6HTR1BHTR7HTR1AHTR1D
SCHEMBL6820963 0.77 KDM4E (0.46) HTR6HTR1BHTR7HTR1AHTR1D
SCHEMBL6817370 0.74 P2RX4 (0.46) KMT2AALDH1A1MEN1PTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004048331-A1 N-ARYLALKYL-3-AMINOALKOXYINDOLES AND THEIR USE AS 5-HT LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO claimed
WO-2004048331-A1 N-ARYLALKYL-3-AMINOALKOXYINDOLES AND THEIR USE AS 5-HT LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO disclosed