SCHEMBL7124751

SCHEMBL7124751

CC[N+](C)(C)Oc1cn(Cc2ccccc2Br)c2ccc(Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
CYP19A1 P11511 4/20 0.40
CNR2 P34972 2/20 0.34
LMNA P02545 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
IDO1 P14902 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
GSK3B P49841 1/20 0.32
QPCT Q16769 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL6917237 0.89 HTR6 (0.39) HTR6CYP19A1CNR2LMNAFNTA
SCHEMBL6817354 0.76 HTR7 (0.48) HTR6CYP19A1LMNAIDO1ALDH1A1
SCHEMBL6919899 0.75 HTR6 (0.43) HTR6LMNAIDO1ALDH1A1
SCHEMBL6917789 0.74 MEN1 (0.35) ALDH1A1TSHRGSK3B
SCHEMBL7130815 0.72 ELANE (0.47) HTR6ALDH1A1TSHR
SCHEMBL3252401 0.71 HTR6 (0.44) HTR6CYP19A1LMNAFNTAFNTB
SCHEMBL3264614 0.71 HTR6 (0.54) HTR6CYP19A1
SCHEMBL28751628 0.70 HTR6 (0.42) HTR6CYP19A1CNR2FNTAFNTB
SCHEMBL3257361 0.67 HTR6 (0.65) HTR6ALDH1A1
SCHEMBL4431649 0.67 HTR6 (0.52) HTR6CYP19A1ALDH1A1

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 1 patent. 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