SCHEMBL6821067

SCHEMBL6821067

[CH2]COc1c(C)n(Cc2ccccc2Br)c2c(Br)cc(Cl)cc12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
CTSG P08311 1/20 0.31
CMA1 P23946 1/20 0.31
GNRHR P30968 1/20 0.31
PLA2G1B P04054 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30

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
SCHEMBL6821088 0.92 NPSR1 (0.35) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL6821158 0.88 NPSR1 (0.34) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL6820693 0.78 UTS2R (0.46) NPSR1MAPTALDH1A1
SCHEMBL6823545 0.73 UTS2R (0.41) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL6820268 0.72 UTS2R (0.42) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL6820218 0.70 UTS2R (0.44) MAPTMEN1KMT2AALDH1A1
SCHEMBL6821018 0.64 UTS2R (0.50) MAPTALDH1A1
SCHEMBL6439888 0.64 HTR6 (0.48) ALDH1A1
SCHEMBL6821022 0.63 TDP1 (0.41) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL6439333 0.62 HTR6 (0.45) ALDH1A1TSHR

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