SCHEMBL6917237

SCHEMBL6917237

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.39
CYP19A1 P11511 1/20 0.39
MAPT P10636 5/20 0.35
TP53 P04637 2/20 0.35
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL7124751 0.89 HTR6 (0.41) HTR6CYP19A1TP53LMNACNR2
SCHEMBL6919392 0.85 CHRNB2 (0.42) HTR6LMNASMN1; SMN2TDP1L3MBTL1
SCHEMBL6817351 0.77 UTS2R (0.50) HTR6GAASMN1; SMN2ALDH1A1
SCHEMBL6921965 0.76 KCNA3 (0.47) CNR2CHRNB2CHRNA7CHRNA4
SCHEMBL6921037 0.76 HTR6 (0.41) HTR6MAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL3257594 0.72 HTR6 (0.60) HTR6
SCHEMBL20769731 0.70 ALDH1A1 (0.58) HTR6LMNASMN1; SMN2FNTAFNTB
SCHEMBL6918823 0.70 AKR1C3 (0.43) HTR6ALDH1A1
SCHEMBL6921379 0.69 HTR6 (0.38) HTR6MAPTTP53LMNASMN1; SMN2
SCHEMBL6817354 0.66 HTR7 (0.48) HTR6CYP19A1LMNAALDH1A1

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