SCHEMBL6820735

SCHEMBL6820735

COc1ccc2c(c1)c(OCCN(C)C)c(C)n2Cc1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 12/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR6 P50406 4/20 0.42
PLA2G1B P04054 1/20 0.40
UTS2R Q9UKP6 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL6820218 0.87 UTS2R (0.44) KMT2AUTS2R
SCHEMBL6820985 0.85 KMT2A (0.56) PLA2G2ATSHRMAPK1KMT2AHTR6
SCHEMBL6820977 0.78 HTR6 (0.53) PLA2G2AHTR6UTS2RHTR2A
SCHEMBL3563162 0.78 HTR6 (0.54) KMT2AHTR6HTR2A
SCHEMBL6823545 0.78 UTS2R (0.41) TSHRKMT2AUTS2R
SCHEMBL6823922 0.77 CNR1 (0.47) PLA2G2ATSHRKMT2AHTR6
SCHEMBL6820693 0.76 UTS2R (0.46) UTS2R
SCHEMBL6822016 0.76 UTS2R (0.39) TSHRKMT2AUTS2R
SCHEMBL6821006 0.75 TDP1 (0.52) PLA2G2ATSHRMAPK1KMT2A
SCHEMBL3560474 0.74 HTR6 (0.52) HTR6

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