SCHEMBL6821035

SCHEMBL6821035

COc1ccc2c(c1)c(OCCN(C)C)cn2C(=O)c1ccccc1Br

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.52
HTR7 P34969 2/20 0.43
MTNR1A P48039 2/20 0.41
MTNR1B P49286 1/20 0.41
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1E P28566 1/20 0.39
HTR1F P30939 1/20 0.39
DRD3 P35462 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PTPN1 P18031 1/20 0.39
PLA2G2A P14555 5/20 0.38

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
SCHEMBL7063772 0.89 HTR7 (0.45) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL6821042 0.87 KDM4E (0.45) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL6922481 0.87 HTR7 (0.49) HTR6HTR7HTR1BKMT2AMEN1
SCHEMBL6817332 0.86 HTR6 (0.70) HTR6HTR7MTNR1AMTNR1BHTR1A
SCHEMBL5768425 0.84 HTR6 (0.74) HTR6HTR7MTNR1AHTR1ADRD2
SCHEMBL3561626 0.82 MTNR1A (0.57) HTR6MTNR1AMTNR1B
SCHEMBL6823922 0.80 CNR1 (0.47) HTR6KMT2AMEN1PLA2G2A
SCHEMBL6920050 0.79 HTR7 (0.45) HTR6HTR7HTR1B
SCHEMBL6817324 0.77 HTR6 (0.43) HTR6HTR7HTR1ADRD2HTR1D
SCHEMBL5101484 0.77 HTR6 (0.53) HTR6MTNR1A

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